Solvents

3 Solvents 3.1 Acids. Acetic acid PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Acetic acid

CAS #

-

Common name

acetic acid

Common synonyms

ethanoic acid, ethylic acid, methanecarboxylic acid

Empirical formula

-

64-19-7

C2H4O2

Formula

O H3C

OH

Molecular mass

daltons

60.06

RTECS number

-

AF1225000

Chemical category

-

acid

Mixture

-

N

EC number

-

200-580-7

PHYSICAL PROPERTIES State

-

L

Odor

-

vinegar-like

Odor threshold

ppm

0.480

Color

-

colorless

Boiling point

o

C

Freezing point

o

C

Refractive index at 20oC

-

1.366-1.377

Specific gravity

-

1.044

Specific gravity temperature

o

Vapor density

air=1

2.10

Vapor pressure

kPa

2.093

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

1.34

Enthalpy of vaporization

kJ mol-1

23.70

Enthalpy of vaporization temperature

K

391.1

Acceptor number

-

118.0 16.66

C

25

C

25.0

52.9

Donor number

kcal mol

-1

20.0

Polarity parameter, ET(30)

kcal mol-1

55.2

Acid dissociation constant

-

4.76

Corrosivity

-

Y

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3 Solvents 3.1 Acids. Acetic acid PARAMETER

UNIT

VALUE

Molar volume

cm3 mol-1

57.6

Coefficients of Antoine equation

coefficient A

4.68206

coefficient B

1642.54

coefficient C

-39.764

Temperature range of Antoine equation

K

290.3 to 391.0

pH

-

2.4 to 3.4

Viscosity

mPas (cP)

1.13

Viscosity temperature

o

C

25

Surface tension at 20 C

mN m

Solubility in water at 20oC

mg kg-1

Heat of combustion at 25 C

MJ kg

Specific heat at 25 C

kJ K mol

Coefficient of thermal expansion

10-4 oC-1 (K-1)

9.90

Hildebrand solubility parameter

(MPa)1/2

20.66

dD

14.5

dP

8.0

o

o

o

Hansen solubility parameters, (MPa)

infinite 15.50

-1

-1

1/2

27.42

-1

-1

123.09

dH

13.5

Henry’s law constant

atm/m3-mol-1

4.42E-05

Relative permittivity

-

6.17

Flammability

2

Health

3

HEALTH & SAFETY NFPA classification

HMIS classification

Reactivity

0

Flammability

2

Health

3

Reactivity

0

UN risk phrases, R

R34;R42;R35;R10;R36/38

US safety phrases, S

S26,36/37/39; 45;23; 24/25

UN number

-

Autoignition temperature

o

C

2789/2790 463

Flash point

o

C

40.0

Flash point method

-

CC

Explosion limit, lower

wt%

5.40

Explosion limit, upper

wt%

16.00

Threshold limiting value – TWA 8h, ACGIH

mg m-3

25

Threshold limiting value – TWA 8h, ACGIH

ppm

10

Threshold limiting value – TWA 8h, NIOSH

mg m

-3

25

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3 Solvents 3.1 Acids. Acetic acid PARAMETER

UNIT

VALUE

Threshold limiting value – TWA 8h, NIOSH

ppm

10

Threshold limiting value – TWA 8h, OSHA

mg m-3

25

Threshold limiting value – TWA 8h, OSHA

ppm

10

Maximum exposure concentration NIOSH-IDLH

mg m-3

123

Maximum exposure concentration NIOSH-IDLH

ppm

50

Maximum concentration, any time, NIOSH

mg m

Maximum concentration, any time, NIOSH

ppm

10

Maximum concentration, any time, OSHA

mg m-3

25

Maximum concentration, any time, OSHA

ppm

10

Maximum concentration, 15 min., ACGIH

mg m-3

37

Maximum concentration, 15 min., ACGIH

ppm

15

Maximum concentration, 15 min., NIOSH

mg m

Maximum concentration, 15 min., NIOSH

ppm

15

Maximum concentration, 15 min., OSHA

mg m-3

24.6

Maximum concentration, 15 min., OSHA

ppm

10

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

6750

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

500 24H Mild

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

Route of entry

Skin, Eye, Inh

Ingestion

May be harmful if swallowed

Skin irritation

Causes skin burns

Eye irritation

Causes eye burns. Causes severe eye burns

Inhalation

May be harmful if inhaled, extremely destructive to the tissue of membranes and upper respiratory tract.

-3

-3

-1

25

37

16,000 4H

First aid: eyes First aid: skin

Immediately flush skin with soap and plenty of water

First aid: inhalation

Remove to fresh air. If not breathing, give artificial respiration

Target organs

RspSys,Skin,Eye,Teeth

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

Mutagenic properties

N

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3 Solvents 3.1 Acids. Acetic acid PARAMETER

UNIT

VALUE

Bioconcentration factor

-

-0.40

Biodegradation probability

-

ECOLOG ICAL PROPERTIES days

Biological oxygen demand, BOD: 5-days test

gg

-1

0.65

Chemical oxygen demand

g g-1

1.09

Theoretical oxygen demand

gg

Hydroxyl rate constant

cm molecule s

1.07

-1

3

Montreal protocol

-1

-1

7.40E-13 N

Partition coefficient

logKow

-0.17

Urban ozone formation potential

C2H4=1

0.02

Soil absorption constant

-

0.01

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Acrylic acid PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Acrylic acid

CAS #

-

79-10-7

IUPAC name

acrylic acid

Common name

ethylenecarboxylic acid

Common synonyms

acroleic acid, 2-propenoic acid

Empirical formula

-

C3H4O2

Formula

O H2C CH2C

OH

Molecular mass

daltons

72.07

RTECS number

-

AS4375000

Chemical category

-

acid

Mixture

-

N

EC number

-

201-177-9

-

L

PHYSICAL PROPERTIES State Odor

-

acrid

Odor threshold

ppm

0.094

Color

-

colorless

Boiling point

o

C

141.0

Freezing point

o

C

12.77

Refractive index at 20 C

-

1.4220

Specific gravity

-

1.050

Specific gravity temperature

o

Vapor density

air=1

2.50

Vapor pressure

kPa

413

Vapor pressure temperature

o

o

C

25

C

20.0

Enthalpy of vaporization

kJ mol

Acid dissociation constant

-

Corrosivity

-

Molar volume

cm mol

Coefficients of Antoine equation

coefficient A

Viscosity

53.10

-1

4.25 Y 3

-1

68.9 8.5904

coefficient B

2346.37

coefficient C

269.814

mPas (cP)

1.14

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Acrylic acid PARAMETER

UNIT

VALUE

Viscosity temperature

o

Surface tension at 20 C

mN m-1

28.10

Solubility in water at 20 C

mg kg

miscible

Heat of combustion at 25oC

MJ kg-1

Coefficient of thermal expansion

10

o

o

Hansen solubility parameters, (MPa)

1/2

C

25

-4 o

-1

19.94

C (K ) -1

-1

dD

16.6

dP

6.4

dH Henry’s law constant

10.70

10.0

atm/m -mol 3

-1

4.00E-07

HEALTH & SAFETY NFPA classification

HMIS classification

UN risk phrases, R

Flammability

2

Health

3

Reactivity

2

Flammability

2

Health

3

Reactivity

2

R10,R20/21/22,R35,R50

US safety phrases, S

S1/2,S26,S36/37/39,S45,S61

UN number

-

UN/NA hazard class

8

UN packaging group

II

DOT class

8

Autoignition temperature

o

C

360

Flash point

o

C

48.0

Flash point method

-

CC

Explosion limit, lower

wt%

2.40

Explosion limit, upper

wt%

Threshold limiting value – TWA 8h, ACGIH

mg m

5.9

Threshold limiting value – TWA 8h, ACGIH

ppm

2

Threshold limiting value – TWA 8h, NIOSH

mg m-3

6

Threshold limiting value – TWA 8h, NIOSH

ppm

2

Maximum concentration, any time, ACGIH

ppm

2

Maximum concentration, any time, NIOSH

mg m-3

6

Maximum concentration, any time, NIOSH

ppm

2.0

Maximum concentration, any time, OSHA

mg m-3

30

Maximum concentration, any time, OSHA

ppm

10

Animal testing, acute toxicity, Mouse oral LD50

mg kg

2218

8.00 -3

-1

2400/4H

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Acrylic acid PARAMETER

UNIT

VALUE

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

294/4H

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

1728/4H

Route of entry

Inh, Skin, Eye, Ing

Ingestion

Harmful if swallowed

Skin irritation

Harmful if absorbed through skin. Causes skin burns

Eye irritation

Causes eye burns. Causes severe eye burns

Inhalation

May be harmful if inhaled. Extremely destructive to the tissue of the mucous membranes

First aid: eyes

Immediately flush with plenty of water

First aid: skin

Take off contaminated clothing and shoes immediately. Wash off with soap and plenty of water.

First aid: inhalation

Remove to fresh air. If not breathing, give artificial respiration. Consult physician

Chronic effects

Caused teratogenic & embryotoxic effects in rats injected intraperitoneally at dose of 4.7 and 8 mg/kg of body weight

Target organs

Skin,RspSys,Eye

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

Mutagenic properties

possible for human

Reproduction/developmental toxicity

no data available

ECOLOGICAL PROPERTIES Chemical oxygen demand

g g-1

1.33

Theoretical oxygen demand

g g-1

1.33

Aquatic toxicity, Daphnia magna, 48-h LC50

mg l

95

Montreal protocol

-

N

Partition coefficient

logKow

0.35

-1

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Caproic acid PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Caproic acid

CAS #

-

142-62-1

IUPAC name

hexanoic acid

Common name

n-caproic acid

Empirical formula

-

C6H12O2

Formula

O CH3(CH2)4C

OH

Molecular mass

daltons

116.2

RTECS number

-

MO5250000

Chemical category

-

acid

Mixture

-

N

EC number

-

205-550-7

PHYSICAL PROPERTIES State

-

L

Odor

-

characteristic

Color

-

colorless

Boiling point

o

C

205.0

Freezing point

o

C

-2.00

Refractive index at 20 C

-

1.4150

Specific gravity

-

0.927

Specific gravity temperature

o

Vapor density

air=1

4.00

Vapor pressure

kPa

0.024

Vapor pressure temperature

o

o

C

20

C

20

Enthalpy of vaporization

kJ mol

Polarity parameter, ET(30)

kcal mol-1

55.4

Acid dissociation constant

-

4.88

Corrosivity

-

Y

Molar volume

cm3 mol-1

126.3

Coefficients of Antoine equation

coefficient A

4.34853

coefficient B

1512.718

coefficient C

-129.255

Temperature range of Antoine equation

K

371.2 to 452.2

Viscosity

mPas (cP)

2.826

Viscosity temperature

o

C

-1

71.00

25

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Caproic acid PARAMETER

UNIT

VALUE

Solubility in water at 20oC

mg kg-1

11000

Heat of combustion at 25 C

MJ kg-1

Coefficient of thermal expansion

10

Hildebrand solubility parameter

(MPa)1/2

24.16

dD

16.3

dP

4.2

o

Hansen solubility parameters, (MPa)

1/2

-4 o

30.82

C (K ) -1

-1

dH

8.43

11.5

Henry’s law constant

atm/m -mol

Relative permittivity

-

2.60

Flammability

1

Health

2

Reactivity

0

Flammability

1

Health

2

Reactivity

0

3

-1

6.80E-07

HEALTH & SAFETY NFPA classification

HMIS classification

UN risk phrases, R

R34

US safety phrases, S

S26,S36/37/39,S45

UN number

-

UN/NA hazard class

8

UN packaging group

III

ICAO/IATA class, packaging group

UN 2829 CAPROIC ACID, 8, III

2829

IMDG class, packaging group

UN 2829 CAPROIC ACID, 8, III

Proper shipping name

Caproic acid

Autoignition temperature

o

C

Flash point

o

C

Flash point method

-

OC

Explosion limit, lower

wt%

1.30

Explosion limit, upper

wt%

9.30

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

2050

Animal testing, acute toxicity, Mouse oral LD50

mg kg-1

5000

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

630

Route of entry

Skin, Eye

Ingestion

May cause irritation of the digestive tract

Skin irritation

Very hazardous in case of skin contact corrosive, irritant

Eye irritation

Causes eye irritation

380 102.0

-1

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Caproic acid PARAMETER

UNIT

VALUE

Inhalation

May cause respiratory tract irritation

First aid: eyes

Check for and remove any contact lenses. Immediately flush eyes with running water for at least 15 minutes, keeping eyelids open. Seek medical attention

First aid: skin

Remove the contaminated clothes as quickly as possible. Place the victim under a deluge shower. If irritation persists, seek medical attention

First aid: inhalation

Allow the victim to rest in a well ventilated area. Seek immediate medical attention

Chronic effects

Chronic eye irritation and severe skin irritation

Target organs

RspSys,SkinEye

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

0.20

Chemical oxygen demand

gg

-1

1.87

Theoretical oxygen demand

gg

-1

Montreal protocol

-

N

Partition coefficient

logKow

1.92

2.20

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Enanthic acid PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Enanthic acid

CAS #

-

111-14-8

IUPAC name

n-heptanoic acid

Common name

heptanoic acid

Common synonyms

n-heptoic acid

Acronym

-

HPA

Empirical formula

-

C7H14O2

Formula

CH3(CH2)5COOH

Molecular mass

daltons

130.2

RTECS number

-

MJ1575000

Chemical category

-

acid

Mixture

-

N

EC number

-

203-838-7

-

L

PHYSICAL PROPERTIES State Odor

-

pungent

Color

-

colorless

Boiling point

o

C

Freezing point

o

C

Refractive index at 20oC

-

1.4221

Specific gravity

-

0.900

Specific gravity temperature

o

Vapor density

air=1

4.50

Vapor pressure

kPa

0.1333

Vapor pressure temperature

o

Polarity parameter, ET(30)

kcal mol-1

55.0

Corrosivity

-

Y

Molar volume

cm3 mol-1

143.0

Coefficients of Antoine equation

coefficient A

4.30691

Temperature range of Antoine equation

C

C

223.0 -7.50

20

78

coefficient B

1536.114

coefficient C

-137.446

K

351.0 to 494.6

Viscosity

mPas (cP)

Viscosity temperature

o

Solubility in water at 20oC

mg kg-1

C

3.84 25 3000

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Enanthic acid PARAMETER

UNIT

Heat of combustion at 25oC

MJ kg-1

32.27

Coefficient of thermal expansion

10-4 oC-1 (K-1)

9.10

Hildebrand solubility parameter

(MPa)1/2

22.09

Hansen solubility parameters, (MPa)1/2

dD

16.1

dP

3.9

dH

7.8

atm/m3-mol-1

3.88E-07

Henry’s law constant

VALUE

HEALTH & SAFETY UN risk phrases, R

R34

US safety phrases, S

S26,S28,S36/37/39,S45

UN number

-

3265

UN/NA hazard class

8

UN packaging group

II

DOT class

8, II

ICAO/IATA class, packaging group

UN 3265 CORROSIVE LIQUID, ACIDIC, ORGANIC, N.O.S. (HEPTANOIC ACID), 8, II

IMDG class, packaging group

UN 3265 CORROSIVE LIQUID, ACIDIC, ORGANIC, N.O.S. (HEPTANOIC ACID), 8, II

Proper shipping name

corrosive liquid, acidic, n.o.s. (heptanoic acid)

Autoignition temperature

o

C

Flash point

o

C

Flash point method

-

CC

Explosion limit, lower

wt%

0.40

Explosion limit, upper

wt%

4.90

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

7000

Route of entry

Inh, Ing, Eye, Skin

Skin irritation

Causes sever skin burns

Eye irritation

Causes sever eye damage.

First aid: eyes

Immediately call POISON CENTER or doctor/physician. Flush eyes with water as a precaution. Remove contact lenses. Protect unharmed eye. Keep eye wide open while rinsing

380 110.0

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Enanthic acid PARAMETER

UNIT

VALUE

First aid: skin

Wash with soap and water. Remove contaminated clothing and shoes. Get medical attention if symptoms occur. Wash contaminated clothing before reuse. Destroy or thoroughly clean contaminated shoes.

First aid: inhalation

Move to fresh air. Treat symptomatically. Get medical attention if symptoms persist.

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Montreal protocol

-

N

USE & PERFORMANCE Manufacturer

Merck Schuchardt OHG

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Ethylhexanoic acid, 2PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Ethylhexanoic acid, 2-

CAS #

-

149-57-5

IUPAC name

2-ethylhexanoic acid

Common name

2-ethylcaproic acid

Common synonyms

3-heptanecarboxylic acid

Acronym

-

2ETHAA

Empirical formula

-

C8H16O2

Formula

CH3(CH2)3CHCOOH CH2CH3

Molecular mass

daltons

144.24

Chemical category

-

acid

Mixture

-

N

EC number

-

205-743-6

Product contents

2-ethylhexanoic acid - 99.8 wt%

PHYSICAL PROPERTIES State

-

L

Odor

-

characteristic

Color

-

colorless

Boiling point

o

C

223.0

Freezing point

o

C

-118.00

Refractive index at 20 C

-

o

1.4250

Specific gravity

-

Specific gravity temperature

o

0.908

Vapor density

air=1

5.00

Vapor pressure

kPa

0.004

Vapor pressure temperature

o

Corrosivity

-

C

20

C

20 N

Molar volume

cm mol

Viscosity

mPas (cP)

Viscosity temperature

o

3

C

-1

160.0 7 25

Solubility in water at 20 C

mg kg

Heat of combustion at 25oC

MJ kg-1

33.66

dD

15.9

dP

3.6

dH

7.4

o

Hansen solubility parameters, (MPa)

1/2

-1

traces

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Ethylhexanoic acid, 2PARAMETER

UNIT

VALUE

Flammability

1

Health

1

HEALTH & SAFETY NFPA classification

HMIS classification

Reactivity

0

Flammability

1

Health

1

Reactivity

0

UN risk phrases, R

R63

US safety phrases, S

S2,S36/37

UN/NA hazard class

not regulated

UN packaging group

not regulated

DOT class

not regulated

ICAO/IATA class, packaging group

not regulated

IMDG class, packaging group

not regulated

Autoignition temperature

o

C

371

Flash point

o

C

118

Flash point method

-

CC

Explosion limit, lower

wt%

1.04

Explosion limit, upper

wt%

Maximum concentration, any time, ACGIH

mg m

8.64 -3

5

Animal testing, acute toxicity, Rat oral LD50

mg kg

-1

2043

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

1260

Route of entry

Ing, Skin

Skin irritation

Causes skin irritation. Prolonged or repeated skin contact may cause defatting & dermatitis

Eye irritation

Causes eye irritation

Inhalation

May cause respiratory tract irritation

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

Reproduction/developmental toxicity

May cause adverse reproductive effects

ECOLOGICAL PROPERTIES Montreal protocol

-

N

Partition coefficient

logKow

2.64

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Formic acid PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Formic acid

CAS #

-

64-18-6

IUPAC name

azane; formic acid

Common name

methanoic acid

Common synonyms

aminic acid, formylic acid

Empirical formula

-

CH2O2

Formula

HCOOH

Molecular mass

daltons

46.03

RTECS number

-

LQ4900000

Chemical category

-

GRAS

Mixture

-

N

EC number

-

200-579-1

-

L

PHYSICAL PROPERTIES State Odor

-

pungent

Odor threshold

ppm

49.0

Color

-

colorless

Boiling point

o

C

100.6

Freezing point

o

C

4.00

Refractive index at 20 C

-

1.3690

Specific gravity

-

1.214

Specific gravity temperature

o

Vapor density

air=1

1.60

Vapor pressure

kPa

5.68

Vapor pressure temperature

o

C

25.0

Evaporation rate

butyl acetate=1

1.14

Enthalpy of vaporization

kJ mol-1

20.08

Enthalpy of vaporization temperature

K

298.2

Acceptor number

-

83.6

Donor number

kcal mol-1

Polarity parameter, ET(30)

kcal mol

Acid dissociation constant

-

Corrosivity

-

Molar volume

cm mol

o

C

25

-1

19.0 57.7 3.75 Y

3

-1

7.9

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Formic acid PARAMETER

UNIT

VALUE

Coefficients of Antoine equation

coefficient A

2.00121

coefficient B

515

coefficient C

-139.408

Temperature range of Antoine equation

K

273.6 to 307.3

pH

-

2.3

Viscosity

mPas (cP)

Viscosity temperature

o

Surface tension at 20oC

mN m-1

37.58

Solubility in water at 20 C

mg kg

infinite

Heat of combustion at 25oC

MJ kg-1

Specific heat at 25 C

kJ K mol

o

o

C

1.966 25

-1

6.02

-1

-1

99.04

Thermal conductivity at 25 C

Wm K

0.2690

Coefficient of thermal expansion

10-4 oC-1 (K-1)

10.01

Hildebrand solubility parameter

(MPa)1/2

24.75

dD

14.6

dP

10.0

o

Hansen solubility parameters, (MPa)

-1

1/2

-1

dH

14.0

Henry’s law constant

atm/m3-mol-1

1.67E-07

Relative permittivity

-

58.0

Flammability

2

Health

3

Reactivity

0

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R10,R35

US safety phrases, S

S1/2,S23,S26,S45

UN number

-

UN/NA hazard class

8

UN packaging group

II

1779

DOT class

8, II

ICAO/IATA class, packaging group

UN 1779 FORMIC ACID, 8, II

IMDG class, packaging group

UN 1779 FORMIC ACID, 8, II

Proper shipping name

formic acid

Autoignition temperature

o

C

Flash point

o

C

48.0

Explosion limit, lower

wt%

12.00

Explosion limit, upper

wt%

Threshold limiting value – TWA 8h, ACGIH

mg m

480

38.00 -3

9.4

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

33

Formic acid PARAMETER

UNIT

VALUE

Threshold limiting value – TWA 8h, ACGIH

ppm

5

Threshold limiting value – TWA 8h, NIOSH

mg m-3

9

Threshold limiting value – TWA 8h, NIOSH

ppm

5

Threshold limiting value – TWA 8h, OSHA

mg m-3

9

Threshold limiting value – TWA 8h, OSHA

ppm

5 57

Maximum exposure concentration NIOSH-IDLH

mg m

Maximum exposure concentration NIOSH-IDLH

ppm

30

Maximum concentration, 15 min., ACGIH

mg m-3

19

Maximum concentration, 15 min., ACGIH

ppm

10

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

730

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

7968/15M

Route of entry

Inh, Ing, Con

Skin irritation

Highly corrosive! Causes severe skin burns

Eye irritation

Highly corrosive! Causes severe eye damage

Target organs

RspSys,Skin,Kdny,Lvr,Eye

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

Mutagenic properties

Y

-3

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

0.20

Biological oxygen demand, 20 days

g g-1

0.25

Chemical oxygen demand

gg

-1

0.35

Theoretical oxygen demand

gg

-1

Bioconcentration factor

-

-0.60

Biodegradation probability

-

days

Hydroxyl rate constant

cm3 molecule-1 s-1

4.50E-13

Montreal protocol

-

N

0.35

Partition coefficient

logKow

-0.54

Urban ozone formation potential

C2H4=1

0.00

Soil absorption constant

-

-0.40

UV absorption

nm

205

USE & PERFORMANCE Manufacturer

BASF AG, Mallinckrodt Baker Inc/Avantor Performance Materials

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

34

Formic acid PARAMETER

UNIT

VALUE

Recommended for products

coatings industry, formic acid is also used in cleaning agents, bleaching agent and tanning agent

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

35

Isobutyric acid PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Isobutyric acid

CAS #

-

79-31-2

IUPAC name

isobutyric acid

Common name

2-methylpropionic acid

Common synonyms

dimethylacetic acid; propionic acid, 2-methyl-

Empirical formula

-

Formula

C4H8O2 CH3CHCOOH CH3

Molecular mass

daltons

88.11

RTECS number

-

NQ4375000

Chemical category

-

acid

Mixture

-

N

EC number

-

201-195-7

Product contents

Isobutyric acid - 100 wt%

PHYSICAL PROPERTIES State

-

L

Odor

-

pungent

Color

-

colorless

Boiling point

o

C

156.0

Freezing point

o

C

-64.00

Refractive index at 20 C o

-

1.3900

Specific gravity

-

Specific gravity temperature

o

Vapor density

air=1

3.00

Vapor pressure

kPa

0.2

Vapor pressure temperature

o

C

20

Corrosivity

-

Y

Molar volume

cm3 mol-1

93.3

Coefficients of Antoine equation

coefficient A

2.23908

Temperature range of Antoine equation

C

0.948 20

coefficient B

459.215

coefficient C

-220.378

K

330.6 to 425.0

Viscosity

mPas (cP)

Viscosity temperature

o

Solubility in water at 20oC

mg kg-1

C

1.322 20 618000

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

36

Isobutyric acid PARAMETER

UNIT

VALUE

Heat of combustion at 25oC

MJ kg-1

25.41

Coefficient of thermal expansion

10-4 oC-1 (K-1)

9.86

Hansen solubility parameters, (MPa)1/2

dD

15.7

dP

5.4

dH

10.5

Henry’s law constant

atm/m -mol

Relative permittivity

-

2.70

Flammability

2

Health

3

Reactivity

0

3

-1

8.84E-07

HEALTH & SAFETY HMIS classification

UN risk phrases, R

R21/22

US safety phrases, S

S2

UN number

-

2529

UN/NA hazard class

3

UN packaging group

III

DOT class

UN 2529 Isobutyric acid 3, (8) III

ICAO/IATA class, packaging group

UN 2529 ISOBUTYRIC ACID, 3 (8), III

IMDG class, packaging group

UN 2529 ISOBUTYRIC ACID, 3 (8), III

Proper shipping name

isobutyric acid

Autoignition temperature

o

C

482

Flash point

o

C

77

Flash point method

-

TCC

Explosion limit, lower

wt%

2.0

Explosion limit, upper

wt%

10.0

Animal testing, acute toxicity, Rat oral LD50

-1

mg kg

316

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

500

Route of entry

Ing, Skin, Inh

Ingestion

Harmful if swallowed. Causes digestive tract burns

Skin irritation

Causes severe skin burns. Harmful if absorbed through skin

Eye irritation

Causes severe eye burns. Mist or vapor irritating to eyes

Inhalation

Mist or vapor irritating to respiratory tract

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

37

Isobutyric acid PARAMETER

UNIT

VALUE

First aid: eyes

Immediately flush eye(s) with plenty of water. Remove contact lenses. Protect unharmed eye. Keep eye wide open while rinsing. Contact ophthalmologist

First aid: skin

Promptly flush skin with water until all chemical is removed. Call physician immediately. Remove wash contaminated clothing and destroy.

First aid: inhalation

Remove victim to fresh air. If breathing stops provide artificial respiration. If breathing is difficult, give oxygen. Call medical attention

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Biodegradation probability

>95 % readily biodegradable

Montreal protocol

-

N

Partition coefficient

logKow

0.94

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

38

Lactic acid PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Lactic acid

CAS #

-

50-21-5

IUPAC name

2-hydroxypropanoic acid

Common name

2-hydroxypropanoic acid

Empirical formula

-

C3H6O3

Formula

CH3CHCOOH OH

Molecular mass

daltons

90.08

RTECS number

-

OD2800000

Chemical category

-

GRAS

Mixture

-

N

EC number

-

200-018-0

Product contents

lactic acid > 85%; water <15

PHYSICAL PROPERTIES State

-

L

Odor

-

acrid

Color

-

colorless to yellow

Boiling point

o

C

122.0

Freezing point

o

C

17.00

Refractive index at 20 C

-

1.4250

Specific gravity

-

1.249

Specific gravity temperature

o

Acid dissociation constant

-

Corrosivity

-

Molar volume

cm mol

pH

-

o

C

15 3.86 Y 3

-1

73.8 2.4

Solubility in water at 20 C

mg kg

Heat of combustion at 25 C

MJ kg

Coefficient of thermal expansion

10-4 oC-1 (K-1)

9.90

Hansen solubility parameters, (MPa)1/2

dD

17.0

dP

8.3

dH

28.4

-

22.00

o

o

Relative permittivity

-1

-1

miscible 15.61

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

39

Lactic acid PARAMETER

UNIT

VALUE

Flammability

1

Health

2

Reactivity

1

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R34

US safety phrases, S

S26,S36/37/39,S45

UN number

-

UN/NA hazard class

8

UN packaging group

II

DOT class

UN 3265 CORROSIVE LIQUID, ACIDIC, ORGANIC, N.O.S. 8, II

TDG class

UN 3265 CORROSIVE LIQUID, ACIDIC, ORGANIC, N.O.S. 8, II

ICAO/IATA class, packaging group

UN 3265 CORROSIVE LIQUID, ACIDIC, ORGANIC, N.O.S. (LACTIC ACID), 8, II

IMDG class, packaging group

UN 3265 CORROSIVE LIQUID, ACIDIC, ORGANIC, N.O.S. (LACTIC ACID), 8, II

Proper shipping name

corrosive liquids, acidic, organic, n.o.s. (lactic acid)

Flash point

o

Flash point method

-

CC

Explosion limit, lower

wt%

3.10

Explosion limit, upper

wt%

3265

C

112.0

18.00

Animal testing, acute toxicity, Rat oral LD50

-1

mg kg

3543

Animal testing, acute toxicity, Mouse oral LD50

mg kg-1

4875

Route of entry

Inh, Eye, Skin

Ingestion

May cause gastrointestinal irritation. May cause severe and permanent damage to the digestive tract

Skin irritation

Causes skin burns. Can be absorbed trough the skin

Eye irritation

Causes eye burns. May cause chemical conjunctivitis and corneal damage

Inhalation

Causes chemical burns to the respiratory tract. Aspiration may lead to pulmonary edema

First aid: eyes

Rinse immediately with plenty of water and seek medical advice

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

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Lactic acid PARAMETER

UNIT

VALUE

First aid: skin

Flush skin with water until all chemical is removed. Remove clothing contaminated with liquid and wash before reuse. Seek medical advice

First aid: inhalation

Remove victim to fresh air. If breathing stops provide artificial respiration. If breathing is difficult, give oxygen. Call medical attention

Chronic effects

Can produce delayed pulmonary edema. May cause perforation of the digestive tract

Target organs

RspSys,Skin, Eye

Carcinogenicity IARC

N

Carcinogenicity NTP

N

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

0.64

Biological oxygen demand, 20 days

g g-1

1.07

Theoretical oxygen demand

gg

1.07

Montreal protocol

-

N

Partition coefficient

logKow

-0.72

-1

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

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Methanesulfonic acid PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Methanesulfonic acid

CAS #

-

IUPAC name

methanesulfonic acid

Acronym

-

MSA

Empirical formula

-

CH4O3S

75-75-2

Formula

CH3 O

S

O

OH Molecular mass

daltons

96.11

RTECS number

-

PB1140000

Chemical category

-

acid

Mixture

-

N

EC number

-

200-898-6

State

-

L

Boiling point

o

C

Freezing point

o

C

Refractive index at 20oC

-

1.4300

Specific gravity

-

1.480

Specific gravity temperature

o

Vapor density

air=1

3.31

Vapor pressure

kPa

0.0133

Vapor pressure temperature

o

Corrosivity

-

PHYSICAL PROPERTIES 167.0 20.00

C

15

C

37 Y

Viscosity

mPas (cP)

Viscosity temperature

o

Hildebrand solubility parameter

(MPa)1/2

Henry’s law constant

atm/m -mol

10.52

C

25 3

31.21 -1

1.26E-08

HEALTH & SAFETY NFPA classification

UN risk phrases, R

Flammability

1

Health

3

Reactivity

0

R34

US safety phrases, S

S26,S36,S45

UN number

-

2586/2922

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

42

Methanesulfonic acid PARAMETER

UNIT

UN/NA hazard class

8

UN packaging group

III

VALUE

DOT class

8, III

ICAO/IATA class, packaging group

UN 2586 ALKYLSULPHONIC ACIDS, LIQUID, 8, III

IMDG class, packaging group

UN 2586 ALKYLSULPHONIC ACIDS, LIQUID, 8, III

Proper shipping name

alkylsulphonic acid

Flash point

o

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

Route of entry

Ing, Inh, Eye, Skin

Ingestion

Corrosive. Swallowing can cause severe burns of the mouth, throat, & stomach.

Skin irritation

Corrosive. Symptoms of redness, pain, and severe burn can occur.

Eye irritation

Corrosive! Vapors are severely irritating and may cause damage to the eyes.

Inhalation

Inhalation produces damaging effects on the mucous membranes and upper respiratory tract.

Target organs

Lvr,Kdny,Stmch,CNS

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

C

110.0 200

ECOLOGICAL PROPERTIES Theoretical oxygen demand

g g-1

0.67

Bioconcentration factor

-

-1.20

Biodegradation probability

-

days-weeks

Hydroxyl rate constant

cm3 molecule-1 s-1

6.48E-14

Montreal protocol

-

N

Partition coefficient

logKow

-2.38

Urban ozone formation potential

C2H4=1

0.0

Soil absorption constant

-

1.69

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

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Oleic acid PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Oleic acid

CAS #

-

112-80-1

IUPAC name

octadec-9-enoic acid

Common name

9-octadecenoic acid

Common synonyms

cis-9-octadecenoic acid

Empirical formula

-

Formula

C18H34O2

CH3(CH2)7CH

CH(CH2)7COOH

Molecular mass

daltons

282.47

RTECS number

-

RG2275000

Chemical category

-

acid

Mixture

-

N

EC number

-

204-007-1

Product contents

oleic acid, 100 wt%

PHYSICAL PROPERTIES State

-

L

Odor

-

lard-like

Color

-

colorless

Boiling point

o

C

Freezing point

o

C

Refractive index at 20oC

-

1.4630

Specific gravity

-

0.890

Specific gravity temperature

o

Vapor density

air=1

9.70

Vapor pressure

kPa

0.01

Vapor pressure temperature

o

Corrosivity

-

Molar volume

cm mol

Coefficients of Antoine equation

coefficient A

5.04842

coefficient B

2555.604

360.0 16.30

C

20

C

20 Y 3

-1

317.5

coefficient C

-127.258

K

449.6 to 633.0

Viscosity

mPas (cP)

25

Viscosity temperature

o

Surface tension at 20oC

mN m-1

32.80

MJ kg

39.82

Temperature range of Antoine equation

Heat of combustion at 25 C o

C

25 -1

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

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Oleic acid PARAMETER Coefficient of thermal expansion Hansen solubility parameters, (MPa)

1/2

UNIT

VALUE

10-4 oC-1 (K-1)

6.90

dD

16.2

dP

3.6

dH

5.2

Henry’s law constant

atm/m -mol

Relative permittivity

-

2.50

Flammability

1

Health

1

Reactivity

0

Flammability

1

Health

1

Reactivity

0

3

-1

4.48E-05

HEALTH & SAFETY NFPA classification

HMIS classification

UN risk phrases, R

R36/38

US safety phrases, S

S24/25,S28,S35,S37

UN/NA hazard class

not regulated

UN packaging group

not regulated

Autoignition temperature

o

C

350

Flash point

o

C

188.9

Flash point method

-

CC

Explosion limit, lower

wt%

0.40

Explosion limit, upper

wt%

2.90 25000

Animal testing, acute toxicity, Rat oral LD50

mg kg

Route of entry

Eye, Skin

Ingestion

May cause irritation of the digestive tract. Low hazard for usual industrial handling.

Skin irritation

May cause skin irritation.

Eye irritation

May cause eye irritation.

Inhalation

May cause respiratory tract irritation. Low hazard for usual industrial handling.

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

-1

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

0.17

Chemical oxygen demand

gg

2.89

-1

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Oleic acid PARAMETER

UNIT

VALUE

Theoretical oxygen demand

g g-1

2.89

Montreal protocol

-

N

Partition coefficient

logKow

7.64

USE & PERFORMANCE Recommended for products

Rubber, pharmaceuticals, cosmetics

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

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Propionic acid PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Propionic acid

CAS #

-

79-09-4

IUPAC name

propanoic acid

Common name

methylacetic acid

Common synonyms

propanoic acid; methyl acetic acid

Empirical formula

-

C3H6O2

Formula

CH3CH2COOH

Molecular mass

daltons

74.08

RTECS number

-

UE5950000

Chemical category

-

GRAS

EC number

-

201-176-3

PHYSICAL PROPERTIES State

-

L

Odor

-

pungent

Odor threshold

ppm

0.160

Boiling point

o

C

141.0

Freezing point

o

C

-22.00

Refractive index at 20 C

-

o

1.3850

Specific gravity

-

Specific gravity temperature

o

1.000

Vapor density

air=1

2.60

Vapor pressure

kPa

0.39

Vapor pressure temperature

o

C

20

C

20

Polarity parameter, ET(30)

kcal mol

Acid dissociation constant

-

Corrosivity

-

Molar volume

cm mol

Coefficients of Antoine equation

coefficient A

4.74558

coefficient B

1679.869

55.0 4.87 N

3

Temperature range of Antoine equation

-1

-1

75.0

coefficient C

-59.832

K

345.5 to 401.5

Viscosity

mPas (cP)

Viscosity temperature

o

Solubility in water at 20oC

mg kg-1

miscible

Heat of combustion at 25 C

MJ kg

21.39

o

C

1.16 25

-1

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

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Propionic acid PARAMETER

UNIT

VALUE

Coefficient of thermal expansion

10-4 oC-1 (K-1)

10.10

Hildebrand solubility parameter

(MPa)1/2

25.92

dD

14.7

dP

5.3

Hansen solubility parameters, (MPa)

1/2

dH

12.4

Henry’s law constant

atm/m -mol

Relative permittivity

-

3.10

Flammability

2

Health

3

Reactivity

0

Flammability

2

Health

3

Reactivity

0

3

-1

9.30E-07

HEALTH & SAFETY NFPA classification

HMIS classification

UN risk phrases, R

R34

US safety phrases, S

S2,S23,S36,S45

UN number

-

3463

UN/NA hazard class

3 (8)

UN packaging group

III

DOT class

8, III

TDG class

UN 3463 flammable liquid, corrosive, n.o.s. (Propionic acid)

ICAO/IATA class, packaging group

UN 3463 FLAMMABLE LIQUID, CORROSIVE, N.O.S. (PROPIONIC ACID), 3 (8), III

IMDG class, packaging group

UN 3463 FLAMMABLE LIQUID, CORROSIVE, N.O.S. (PROPIONIC ACID), 3 (8), III

Proper shipping name

flammable liquid, corrosive, n.o.s. (propionoic acid)

Autoignition temperature

o

C

513

Flash point

o

C

49.0

Flash point method

-

SCC

Explosion limit, lower

wt%

2.10

Explosion limit, upper

wt%

12.00

Threshold limiting value – TWA 8h, ACGIH

mg m-3

30

Threshold limiting value – TWA 8h, OSHA

mg m-3

30

Threshold limiting value – TWA 8h, OSHA

ppm

10

Maximum concentration, any time, ACGIH

ppm

10.0

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

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Propionic acid PARAMETER

UNIT

VALUE

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

2600-4600

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

500

Route of entry

Skin,Eye

Ingestion

If swallowed cause abdominal cramps, sore throat, vomiting.

Skin irritation

Causes skin burns.

Eye irritation

Causes severe eye irritation.

Inhalation

Harmful by inhalation. Causes cough, burning sensation, shortness of breath.

First aid: eyes

Rinse immediately for at least 15 minutes with plenty of water. Immediate medical attention required.

First aid: skin

Wash immediately affected areas with water while removing contaminated clothing. Immediate medical attention required.

First aid: inhalation

Remove immediately the affected individual into fresh air and keep the person calm. Assist in breathing if necessary. Immediate medical attention required.

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

0.56

Biological oxygen demand, 20 days

gg

-1

1.40

Chemical oxygen demand

gg

-1

1.50

Theoretical oxygen demand

g g-1

1.51

Montreal protocol

-

N

Partition coefficient

logKow

0.33

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

49

3.2 Alcohols Aminoethoxyethanol, 2PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Aminoethoxyethanol, 2-

CAS #

-

929-06-6

IUPAC name

2-(2-aminoethoxy)ethanol

Common name

diglycolamine

Common synonym

1-amino-2-(2-hydroxyethoxy)ethane

Acronym

-

DGA

Empirical formula

-

C4H11NO2

Formula

H O

H

O

Molecular mass

daltons

105.16

N

RTECS number

-

KJ6125000

Chemical category

-

amine

Mixture

-

N

EC number

-

213-195-4

-

L

Odor

-

fish-like

Color

colorless to faintly yellow

Boiling point

o

C

Freezing point

o

C

Refractive index at 20oC

-

H

PHYSICAL PROPERTIES State

Specific gravity

-

Specific gravity temperature

o

Corrosivity

-

221 -12.5 1.457 1.057

C

20 Y

Molar volume

cm mol

Viscosity

mPas (cP)

Viscosity temperature

o

Coefficient of thermal expansion

10

Hansen solubility parameters, (MPa)1/2

dD

16.2

dP

9.4

dH

18.9

Flammability

1

Health

3

Reactivity

0

3

100.3

-1

187

C

25 -4 o

C (K ) -1

-1

8.5

HEALTH & SAFETY NFPA classification

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3.2 Alcohols Aminoethoxyethanol, 2PARAMETER

UNIT

VALUE

HMIS classification

Flammability

1

Health

3

Reactivity

0

UN number

-

3055

UN/NA hazard class

8

UN packaging group

III

ICAO/IATA class, packaging group

UN 3055 8 III 2-(2-AMINOETHOXY) ETHANOL

IMDG class, packaging group

UN 3055 8 III 2-(2-AMINOETHOXY) ETHANOL

Proper shipping name

2-(2-Aminoethoxy) ethanol

Flash point

o

C

126

Explosion limit, lower

wt%

1.8

Explosion limit, upper

wt%

17.1

Animal testing, acute toxicity, Rat oral LD50

-1

mg kg

3,000

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

1,190

Route of entry

Inh, Skin, Ing

Ingestion

May be harmful if swallowed

Skin irritation

Causes skin burns

Eye irritation

Causes eye burns

Inhalation

May be harmful if inhaled. Material is extremely destructive to the tissue of the mucous membranes

First aid: eyes

Immediately flush with plenty of water

First aid: skin

Wash off with soap and plenty of water. Take victim immediately to hospital. Consult a physician

First aid: inhalation

Move person into fresh air. If not breathing, give artificial respiration. Consult a physician

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Montreal protocol

-

N

Partition coefficient

logKow

-1.89

-

Huntsman

USE & PERFORMANCE Manufacturer

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51

3.2 Alcohols Aminoethoxyethanol, 2PARAMETER

UNIT

VALUE

Recommended for products

gas washing, petroleum industry, wetting agent, agricultural chemicals, corrosion inhibitor, paints, coatings, electronics, cleaning, solvent

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52

Aminomethylpropanol PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Aminomethylpropanol

CAS #

-

124-68-5

IUPAC name

2-amino-2-methyl-propan-1-ol

Common name

isobutanolamine

Common synonym

2-amino-2-methyl-1-propanol

Acronym

-

AMP

Empirical formula

-

C4H11NO

Formula

H N O H

H Molecular mass

daltons

89.14

RTECS number

-

US5950000

Chemical category

-

amine

Mixture

-

N

EC number

-

204-709-8

Product contents

2-amino-2-methyl-propan-1-ol (anhydrous or 5% -25wt% water)

PHYSICAL PROPERTIES State

-

S

Odor

-

ammonia

Color

-

colorless

Boiling point

o

C

165

Freezing point

o

C

31

Refractive index at 20oC

-

1.449

Specific gravity

-

Specific gravity temperature

o

0.93-0.95

Vapor density

air=1

3.04

Vapor pressure

kPa

0.045

Vapor pressure temperature

o

Acid dissociation constant

-

Corrosivity

-

Molar volume

cm mol

pH

-

11.3

Viscosity

mPas (cP)

147

Viscosity temperature

o

C

25

C

20 9.72 Y 3

Solubility in water at 20 C o

C

mg kg

-1

96

25 -1

miscible

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

53

Aminomethylpropanol PARAMETER Coefficient of thermal expansion Hansen solubility parameters, (MPa)

1/2

UNIT

VALUE

10-4 oC-1 (K-1)

9.5

dD

15.7

dP

9.0

dH

17.6

Flammability

2

Health

2

Reactivity

0

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R36/38,R52/53

US safety phrases, S

S61

UN/NA hazard class

not regulated

UN packaging group

not regulated

DOT class

not regulated

ICAO/IATA class, packaging group

not regulated

IMDG class, packaging group

not regulated

Autoignition temperature

o

C

438

Flash point

o

C

67-77

Flash point method

-

Threshold limiting value – TWA 8h, ACGIH

ppm

Animal testing, acute toxicity, Rat oral LD50 Animal testing, acute toxicity, Rabbit dermal LD50

CC 3 -1

mg kg

2,900

mg kg

-1

2,000

Route of entry

Inh, Skin, Eye

Skin irritation

Causes skin irritation

Eye irritation

Causes serious eye irritation

Inhalation

May cause respiratory irritation

First aid: eyes

Immediately flush eye(s) with plenty of water. Remove contact lenses. Protect unharmed eye. Keep eye wide open while rinsing. Contact ophthalmologist

First aid: skin

Promptly flush skin with water until all chemical is removed. Remove clothing contaminated with liquid and wash before reuse.

First aid: inhalation

Remove victim to fresh air and keep at rest in a position comfortable for breathing

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

54

Aminomethylpropanol PARAMETER

UNIT

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Aquatic toxicity, Bluegill sunfish, 96-h LC50 Aquatic toxicity, Daphnia magna, 48-h LC50 Aquatic toxicity, Rainbow trout, 96-h LC50

VALUE

mg l-1

190

mg l

-1

193

mg l-1

190

Biodegradation probability

not readily biodegradable: 40% in 28 days

Montreal protocol

-

N

Partition coefficient

logKow

-0.63

USE & PERFORMANCE Recommended for products

Synthesis, coatings, metalworking fluids, emulsions, boiler water treatment

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

55

Amyl alcohol, tertPARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Amyl alcohol, tert-

CAS #

-

75-85-4

IUPAC name

2-methylbutan-2-ol

Common name

tert-pentyl alcohol

Common synonym

2-methyl-2-butanol

Empirical formula

-

C5H12O

Formula

H O

Molecular mass

daltons

88.15

RTECS number

-

SC0175000

Chemical category

-

alcohol

Mixture

-

N

EC number

-

200-908-9

State

-

L

Odor

-

camphor-like

Color

-

colorless

Boiling point

o

C

100

Freezing point

o

C

-12.00

PHYSICAL PROPERTIES

Refractive index at 20 C

-

1.4050

Specific gravity

-

0.808

Specific gravity temperature

o

Vapor density

air=1

3.03

Vapor pressure

kPa

1.5

Vapor pressure temperature

o

C

20

Enthalpy of vaporization

kJ mol-1

39.04

Enthalpy of vaporization temperature

K

375.4

Acceptor number

-

22.2

Donor number

kcal mol-1

44.0

Polarity parameter, ET(30)

kcal mol

41.0

o

C

25

Acid dissociation constant

-

Corrosivity

-

Molar volume

cm mol

-1

19.0 N 3

-1

109.6

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

56

Amyl alcohol, tertPARAMETER

UNIT

VALUE

Coefficients of Antoine equation

coefficient A

4.4667

coefficient B

1261.658

coefficient C

-91.953

Temperature range of Antoine equation

K

298.1 to 364.0

Viscosity

mPas (cP)

3.548

Viscosity temperature

o

Solubility in water at 20oC

mg kg-1

110,000

Heat of combustion at 25 C

MJ kg

37.91

Hildebrand solubility parameter

(MPa)

Hansen solubility parameters, (MPa)1/2

dD

15.3

dP

6.1

dH

13.3

Flammability

3

Health

2

Reactivity

0

Flammability

3

Health

2

Reactivity

1

o

C

25 -1 1/2

20.13

HEALTH & SAFETY NFPA classification

HMIS classification

UN risk phrases, R

R10,R20,R37/38

US safety phrases, S

S46

UN number

-

1105

UN/NA hazard class

3

UN packaging group

II

DOT class

UN 1105 PENTANOLS, 3, II

ICAO/IATA class, packaging group

UN 1105 PENTANOLS, 3, II

IMDG class, packaging group

UN 1105 PENTANOLS, 3, II

Proper shipping name

pentanols

Autoignition temperature

o

C

435

Flash point

o

C

21

Flash point method

-

CC

Explosion limit, lower

wt%

1.5

Explosion limit, upper

wt%

9.1

Animal testing, acute toxicity, Rat oral LD50

mg kg

1,000-2,000

Animal testing, acute toxicity, Mouse oral LD50

mg kg-1

610

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

1,720

-1

-1

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

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Amyl alcohol, tertPARAMETER

UNIT

VALUE

Route of entry

Inh

Ingestion

Harmful if swallowed.

Skin irritation

Causes severe skin irritation.

Eye irritation

May cause eye irritation.

Inhalation

Irritating to respiratory system

First aid: eyes

Rinse eyes immediately with large amounts of water for at least 15 minutes, occasionally lifting the eyelids

First aid: skin

Wash off with plenty of water. Remove contaminated clothing. If irritation persists, get medical attention.

First aid: inhalation

Remove to fresh air. If rapid recovery does not occur, transport to nearest medical facility for additional treatment.

Target organs

CNS,Lachrymator

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Aquatic toxicity, Daphnia magna, 24-h LC50

mg l-1

3185-4030

Montreal protocol

-

N

Partition coefficient

logKow

0.89

Manufacturer

-

Nanjing Kaimubo

Recommended for products

Epoxy and PU coatings, organic synthesis, pharmaceuticals, flavoring agent, solvent

USE & PERFORMANCE

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

58

Butanol, 1PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Butanol, 1-

CAS #

-

71-36-3

IUPAC name

butan-1-ol

Common name

n-butyl alcohol

Common synonyms

propyl carbinol; n-butanol

Empirical formula

-

C4H10O

Formula

CH3CH2CH2CH2OH

Molecular mass

daltons

74.14

RTECS number

-

EO1400000

Chemical category

-

alcohol

Mixture

-

N

EC number

-

200-751-6

-

L

PHYSICAL PROPERTIES State Odor

-

alcoholic

Odor threshold

ppm

0.830

Color

-

colorless

Boiling point

o

C

117.7

Freezing point

o

C

-88.62

Refractive index at 20 C

-

1.3970

Specific gravity

-

0.810

Specific gravity temperature

o

Vapor density

air=1

2.60

Vapor pressure

kPa

0.67

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

0.39

Enthalpy of vaporization

kJ mol-1

43.29

Enthalpy of vaporization temperature

K

390.9

Acceptor number

-

Donor number

kcal mol

-1

Polarity parameter, ET(30)

kcal mol

-1

Acid dissociation constant

-

Corrosivity

-

Molar volume

cm mol

o

C

25

C

25

32.2 29.0 49.7 16.10 N 3

-1

92.0

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

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Butanol, 1PARAMETER

UNIT

VALUE

Coefficients of Antoine equation

coefficient A

4.54607

coefficient B

1351.555

coefficient C

-93.34

Temperature range of Antoine equation

K

295.7 to 390.9

Viscosity

mPas (cP)

3.006

Viscosity temperature

o

Surface tension at 20oC

mN m-1

24.67

Solubility in water at 20 C

mg kg

-1

63200

Heat of combustion at 25 C

MJ kg

-1

36.26

Specific heat at 25oC

kJ K-1 mol-1

189.62

Coefficient of thermal expansion

10

10.20

Hildebrand solubility parameter

(MPa)

Hansen solubility parameters, (MPa)1/2

dD

16.0

dP

5.7

o

o

C

20

-4 o

C (K ) -1

-1

1/2

23.73

dH

15.8

Henry’s law constant

atm/m3-mol-1

8.81E-06

Relative permittivity

-

17.80

Flammability

3

Health

1

Reactivity

0

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R10,R22,R37/38,R41,R67

US safety phrases, S

S7/9,S13,S26,S37/39,S46

UN number

-

UN/NA hazard class

3

UN packaging group

III

DOT class

UN 1120 BUTANOLS, 3, III

TDG class

UN 1120 BUTANOLS, 3, III, Flash point 35

ICAO/IATA class, packaging group

UN 1120 BUTANOLS, 3, III

IMDG class, packaging group

UN 1120 BUTANOLS, 3, III

Proper shipping name

butanols

Autoignition temperature

o

C

343

Flash point

o

C

35.0

Flash point method

-

CC

Explosion limit, lower

wt%

1.40

Explosion limit, upper

wt%

11.20

1120

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Butanol, 1PARAMETER

UNIT

VALUE

Threshold limiting value – TWA 8h, ACGIH

mg m-3

152

Threshold limiting value – TWA 8h, ACGIH

ppm

50

Threshold limiting value – TWA 8h, OSHA

mg m-3

300

Threshold limiting value – TWA 8h, OSHA

ppm

100

Maximum exposure concentration NIOSH-IDLH

mg m-3

24640

Maximum exposure concentration NIOSH-IDLH

ppm

1400

Maximum concentration, any time, ACGIH

mg m-3

152

Maximum concentration, any time, ACGIH

ppm

20

Maximum concentration, any time, NIOSH

mg m

Maximum concentration, any time, NIOSH

ppm

50

Maximum concentration, any time, OSHA

mg m-3

300

Maximum concentration, any time, OSHA

ppm

100

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

790

Animal testing, acute toxicity, Mouse oral LD50

mg kg

-1

100

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

-1

3400

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

Route of entry

Inh, Abs, Ing, Con

Ingestion

May be harmful if swallowed

Skin irritation

Causes skin irritation

Eye irritation

Causes severe eye irritation

Inhalation

May cause respiratory tract irritation

First aid: eyes

Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid

First aid: skin

Flush skin with plenty of water. Remove contaminated clothing and shoes. Get medical aid

First aid: inhalation

Remove to fresh air. If breathing is difficult, give oxygen. Get medical attention

Target organs

Skin,Eye,CNS,RspSys

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

Mutagenic properties

Y

150

-3

8000/4H

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

61

Butanol, 1PARAMETER

UNIT

VALUE

Biological oxygen demand, 5 days

g g-1

1.66

Chemical oxygen demand

gg

-1

2.46

Theoretical oxygen demand

gg

-1

2.59

Aquatic toxicity, Daphnia magna, 48-h LC50

mg l-1

1980-1983

Aquatic toxicity Fathead minnow, 96-h LC50

mg l

1510-1730

ECOLOGICAL PROPERTIES

-1

Bioconcentration factor

-

0.44

Biodegradation probability

-

days

Hydroxyl rate constant

cm3 molecule-1 s-1

8.30E-12

Montreal protocol

-

N

Partition coefficient

logKow

0.88

Urban ozone formation potential

C2H4=1

0.17

Soil absorption constant

-

0.50

UV absorption

nm

<215

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

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Butanol, 2PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Butanol, 2-

CAS #

-

78-92-2

IUPAC name

butan-2-ol

Common name

sec-butyl alcohol

Common synonyms

methyl ethyl carbinol; 1-methylpropanol

Empirical formula

-

C4H10O

Formula

CH3

CH3 OH

Molecular mass

daltons

74.14

RTECS number

-

EO1750000

Chemical category

-

alcohol

Mixture

-

N

EC number

-

201-158-5

-

L

PHYSICAL PROPERTIES State Odor

-

strong, pleasant

Odor threshold

ppm

2.600

Color

-

colorless

Boiling point

o

C

99.5

Freezing point

o

C

-114.7

Refractive index at 20 C

-

1.3950

Specific gravity

-

0.802

Specific gravity temperature

o

Vapor density

air=1

2.60

Vapor pressure

kPa

1.6

Vapor pressure temperature

o

C

20

Evaporation rate

butyl acetate=1

0.90

Evaporation rate

ether=1

15.0

Enthalpy of vaporization

kJ mol

40.75

Enthalpy of vaporization temperature

K

Acceptor number

-

Polarity parameter, ET(30)

kcal mol

Corrosivity

-

N

Molar volume

cm3 mol-1

92

o

C

25

-1

372.7 30.5 -1

47.1

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

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Butanol, 2PARAMETER

UNIT

VALUE

Coefficients of Antoine equation

coefficient A

4.32943

coefficient B

1158.672

coefficient C

-104.683

Temperature range of Antoine equation

K

345.5 to 380.3

Viscosity

mPas (cP)

2.998

Viscosity temperature

o

Surface tension at 20oC

mN m-1

23.37

Solubility in water at 20 C

mg kg

-1

181000

Heat of combustion at 25 C

MJ kg

-1

36.26

Specific heat at 25oC

kJ K-1 mol-1

213.80

Coefficient of thermal expansion

10

12.20

Hildebrand solubility parameter

(MPa)

Hansen solubility parameters, (MPa)1/2

dD

15.8

dP

5.7

o

o

C

25

-4 o

C (K ) -1

-1

1/2

22.09

dH

14.5

atm/m3-mol-1

1.02E-05

Relative permittivity

-

15.80

Electrical conductivity

pS m-1

3.00E+06

Flammability

3

Health

1

Reactivity

0

Henry’s law constant

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R10,R36/37,R67

US safety phrases, S

S7/9,R13,R24/25R26,R46

UN number

-

1120

UN/NA hazard class

3.3

UN packaging group

III

ICAO/IATA class, packaging group

UN 1120 BUTANOLS, 3, III

IMDG class, packaging group

UN 1120 BUTANOLS, 3, III

Proper shipping name

butanols

Autoignition temperature

o

C

Flash point

o

C

Flash point method

-

TOC

Explosion limit, lower

wt%

1.70

Explosion limit, upper

wt%

Threshold limiting value – TWA 8h, ACGIH

mg m

303

Threshold limiting value – TWA 8h, ACGIH

ppm

100

405 23.0

9.80 -3

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Butanol, 2PARAMETER

UNIT

VALUE

Threshold limiting value – TWA 8h, NIOSH

mg m-3

303

Threshold limiting value – TWA 8h, NIOSH

ppm

100

Threshold limiting value – TWA 8h, OSHA

mg m-3

450

Threshold limiting value – TWA 8h, OSHA

ppm

150

Maximum exposure concentration NIOSH-IDLH

mg m-3

30800

Maximum exposure concentration NIOSH-IDLH

ppm

2000

Maximum concentration, 15 min., NIOSH

mg m-3

455

Maximum concentration, 15 min., NIOSH

ppm

150

Animal testing, acute toxicity, Rat oral LD50

mg kg

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

6480

-1

>16000/4H

Route of entry

Inh, Ing, Con

Ingestion

Causes gastrointestinal irritation

Skin irritation

Causes skin irritation

Eye irritation

Causes eye irritation

Inhalation

Inhalation of high concentrations may cause CVS affected

First aid: eyes

Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid

First aid: skin

Flush skin with plenty of water. Remove contaminated clothing and shoes. Get medical aid

First aid: inhalation

Remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid

Target organs

Eye,CNS

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

Mutagenic properties

Y

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

1.76

Chemical oxygen demand

gg

-1

2.49

Theoretical oxygen demand

gg

-1

Bioconcentration factor

-

Biodegradation probability

-

Hydroxyl rate constant

cm molecule s

2.59 0.23 days-weeks

3

-1

-1

9.60E-12

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

65

Butanol, 2PARAMETER

UNIT

VALUE

Montreal protocol

-

N

Partition coefficient

logKow

0.61

Urban ozone formation potential

C2H4=1

0.18

Soil absorption constant

-

0.75

UV absorption

nm

170-178;208-214

USE & PERFORMANCE Recommended for products

coatings, paint remover, resins, adhesives, cleaners, foods, synthesis

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

66

Butanol, tertPARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Butanol, tert-

CAS #

-

75-65-0

IUPAC name

2-methylpropan-2-ol

Common name

2-methyl-2-propanol

Common synonyms

1,1-dimethyl ethanol; trimethyl carbinol

Acronym

-

TBA

Empirical formula

-

C4H10O

Formula

CH3 H3C C OH CH3

Molecular mass

daltons

74.1

RTECS number

-

EO1925000

Chemical category

-

alcohol

Mixture

-

N

EC number

-

200-889-7

-

L

PHYSICAL PROPERTIES State Odor

-

camphor

Color

-

colorless

Boiling point

o

C

Freezing point

o

C

Refractive index at 20oC

-

1.3850

Specific gravity

-

0.800

Vapor density

air=1

2.60

Vapor pressure

kPa

4.1

Vapor pressure temperature

o

83.0 25.0

C

20

Enthalpy of vaporization

kJ mol

Enthalpy of vaporization temperature

K

Acceptor number

-

39.07

-1

355.5 27.1

Donor number

kcal mol

-1

38.0

Polarity parameter, ET(30)

kcal mol-1

43.3

Acid dissociation constant

-

19.00

Corrosivity

-

Molar volume

cm mol

N 3

-1

95.8

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67

Butanol, tertPARAMETER

UNIT

VALUE

Coefficients of Antoine equation

coefficient A

4.49774

coefficient B

1174.869

coefficient C

-93.92

Temperature range of Antoine equation

K

312.7 to 355.6

Viscosity

mPas (cP)

3.33

Viscosity temperature

o

Solubility in water at 20oC

mg kg-1

infinite

Heat of combustion at 25 C

MJ kg

36.26

Hildebrand solubility parameter

(MPa)

Hansen solubility parameters, (MPa)1/2

dD

15.2

dP

5.1

o

Henry’s law constant

C

25 -1 1/2

21.21

dH

14.7

atm/m3-mol-1

1.73E-05

Flammability

3

Health

1

Reactivity

0

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R10,R11,R 20,R36/37,R67

US safety phrases, S

S7/9,S9,S13,S16,S24/25,S26,S46

UN number

-

1120

UN/NA hazard class

3

UN packaging group

II

DOT class

UN 1120 BUTANOLS, 3, II

TDG class

UN 1120 BUTANOLS, 3, II, Flash point 11

ICAO/IATA class, packaging group

UN 1120 BUTANOLS, 3, II

IMDG class, packaging group

UN 1120 BUTANOLS, 3, II

Proper shipping name

butanols

Autoignition temperature

o

C

470

Flash point

o

C

11

Flash point method

-

CC

Explosion limit, lower

wt%

2.40

Explosion limit, upper

wt%

Threshold limiting value – TWA 8h, ACGIH

mg m

303

Threshold limiting value – TWA 8h, ACGIH

ppm

100

Threshold limiting value – TWA 8h, NIOSH

mg m-3

300

Threshold limiting value – TWA 8h, NIOSH

ppm

100

8.00 -3

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Butanol, tertPARAMETER

UNIT

VALUE

Threshold limiting value – TWA 8h, OSHA

mg m-3

300

Threshold limiting value – TWA 8h, OSHA

ppm

100

Maximum exposure concentration NIOSH-IDLH

ppm

1600

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

3500

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

5000/7H

Ingestion

Harmful if swallowed. May cause liver, kidney damage and central nervous system depression

Skin irritation

Causes skin irritation

Eye irritation

Causes eye irritation

Inhalation

Causes respiratory tract irritation

First aid: eyes

Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid

First aid: skin

Flush skin with plenty of water. Remove contaminated clothing and shoes. Get medical aid

First aid: inhalation

Remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid

Target organs

Eye

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Chemical oxygen demand

g g-1

2.12

Theoretical oxygen demand

g g-1

2.59

Montreal protocol

-

N

Partition coefficient

logKow

0.35

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Butoxy-2-propanol, 1PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Butoxy-2-propanol, 1-

CAS #

-

5131-66-8

IUPAC name

1-butoxypropan-2-ol

Common name

2-propanol

Common synonym

1-butoxypropan-2-ol

Empirical formula

-

C7H16O2

Formula

H

O

H O CH3

Molecular mass

daltons

132.203

RTECS number

-

UA7700000

EC number

-

225-878-4

Product contents

>99 wt%

PHYSICAL PROPERTIES State

-

L

Odor

-

characteristic

Color

-

colorless

Boiling point

o

C

Freezing point

o

C

Refractive index at 20oC

-

1.416

Specific gravity

-

0.879-0.885

Specific gravity temperature

o

Vapor density

air=1

4.55

Vapor pressure

kPa

0.187

Vapor pressure temperature

o

Viscosity

mPas (cP)

Viscosity temperature

o

Surface tension at 20oC

mN m-1

27.5

Solubility in water at 20 C

g kg

52-60

Heat of combustion at 25 C

MJ kg

Specific heat at 25oC

kJ g-1 oC-1

1.98

dD

14.9

dP

4.9

dH

10.7

o

o

Hansen solubility parameters, (MPa)

1/2

165-175 <-75 to -80

C

25

C

25

C

2.8 25

-1 -1

31.4

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70

Butoxy-2-propanol, 1PARAMETER

UNIT

VALUE

HEALTH & SAFETY UN risk phrases, R

36/38

Autoignition temperature

o

C

Flash point

o

C

Flash point method

-

CC

Explosion limit, lower

wt%

1.1

Explosion limit, upper

wt%

8.4

Animal testing, acute toxicity, Rat oral LD50

mg m-3/4 hr

>3,520

First aid: eyes

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

First aid: skin

Rinse skin with plenty of water or shower.

First aid: inhalation

Fresh air, rest.

Target organs

Kidneys, respiratory system, eyes, skin, CNS

260 63

ECOLOGICAL PROPERTIES Partition coefficient

logKow

1.15

USE & PERFORMANCE Manufacturer

Daishin, Inchem, DOW

Outstanding properties

heavy-duty cleaning, surface tension lowering ability

Recommended for polymers

epoxy

Recommended for products

cleaning, furnish care, paints, coatings, coalescent, agricultural formulations

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71

Cresol, mPARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Cresol, m-

CAS #

-

108-39-4

IUPAC name

3-methylphenol

Common name

3-hydroxytoluene

Common synonym

1-hydroxy-3-methylbenzene

Acronym

-

3MPHL

Empirical formula

-

C7H8O

Formula

O H Molecular mass

daltons

108.15

RTECS number

-

GO6125000

Chemical category

aromatic hydrocarbon

Mixture

-

N

EC number

-

203-577-9

State

-

L

Odor

-

phenolic

Color

-

colorless

Boiling point

o

C

202

Freezing point

o

C

11

PHYSICAL PROPERTIES

Refractive index at 20 C

-

1.54

Specific gravity

-

1.03

Specific gravity temperature

o

Vapor density

air=1

7.07

Vapor pressure

kPa

0.02

Vapor pressure temperature

o

Acceptor number

-

50.4

Polarity parameter, ET(30)

kcal mol-1

52.4

Acid dissociation constant

-

10.1

Corrosivity

-

Molar volume

cm mol

Coefficients of Antoine equation

coefficient A

4.60157

coefficient B

1833.137

coefficient C

-76.414

o

C

22

C

25

N 3

-1

105.0

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Cresol, mPARAMETER

UNIT

VALUE

Temperature range of Antoine equation

K

422.6 to 474.2

Viscosity

mPas (cP)

9.8

Viscosity temperature

o

Solubility in water at 20oC

mg kg-1

Heat of combustion at 25 C

MJ kg

Coefficient of thermal expansion

10

Hildebrand solubility parameter

(MPa)1/2

21.68

dD

18.5

dP

6.5

o

Hansen solubility parameters, (MPa)

1/2

C

25

-4 o

25,000 37.66

-1

C (K ) -1

-1

dH Henry’s law constant

7.23

13.7

atm/m -mol 3

-1

7.24E-07

HEALTH & SAFETY NFPA classification

HMIS classification

Flammability

2

Health

3

Reactivity

0

Flammability

1

Health

3

Reactivity

1

UN risk phrases, R

R24/25,R34, R21/22, R36/38

US safety phrases, S

S1/2,S36/37/39,S45

UN number

-

UN/NA hazard class

6.1

2076

UN packaging group

II

DOT class

6.1, II

ICAO/IATA class, packaging group

UN 2076 CRESOLS, LIQUID, 6.1 (8), II

IMDG class, packaging group

UN 2076 CRESOLS, LIQUID, 6.1 (8), II

Proper shipping name

cresols, liquid

Autoignition temperature

o

C

Flash point

o

C

86

Explosion limit, lower

wt%

1.1

Explosion limit, upper

wt%

7.6

Threshold limiting value – TWA 8h, ACGIH

ppm

5

Threshold limiting value – TWA 8h, NIOSH

ppm

558

10

Threshold limiting value – TWA 8h, OSHA

mg m

22

Threshold limiting value – TWA 8h, OSHA

ppm

5

Maximum exposure concentration NIOSH-IDLH

ppm

Animal testing, acute toxicity, Rat oral LD50

mg kg

-3

250 -1

242

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Cresol, mPARAMETER

UNIT

VALUE

Animal testing, acute toxicity, Mouse oral LD50

mg kg-1

828

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

2,050-2,830

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

1.71

Chemical oxygen demand

gg

-1

2.52

Theoretical oxygen demand

gg

-1

Montreal protocol

-

N

Partition coefficient

logKow

1.96

2.52

USE & PERFORMANCE Recommended for products

adhesives, sealants, plating agents, cleaning, degreasing, electronics, fabrics, paints, coatings, solvents

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

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Cresol, pPARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Cresol, p-

CAS #

-

106-44-5

IUPAC name

4-methylphenol

Common name

4-hydroxytoluene

Common synonym

4-hydroxy-1-methylbenzene

Acronym

-

4MPHL

Empirical formula

-

C7H8O

Formula

H O

Molecular mass

daltons

108.2

RTECS number

-

GO6475000

Chemical category

aromatic hydrocarbon

Mixture

-

N

EC number

-

203-398-6

-

S

PHYSICAL PROPERTIES State Odor

-

tar-like

Color

-

colorless

Boiling point

o

C

202

Freezing point

o

C

35

Refractive index at 20oC

-

1.539

Specific gravity

-

Specific gravity temperature

o

Vapor density

air=1

3.7

Vapor pressure

kPa

0.015

Vapor pressure temperature

o

Acid dissociation constant

-

10.30

Corrosivity

-

N

Molar volume

cm3 mol-1

109.4

Coefficients of Antoine equation

coefficient A

4.14093

coefficient B

1498.579

coefficient C

-112.6

Temperature range of Antoine equation

K

401.2 to 475.0

Viscosity

mPas (cP)

4.5

Viscosity temperature

o

C

C

C

1.02 20

25

50

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Cresol, pPARAMETER

UNIT

VALUE

Surface tension at 20oC

mN m-1

34.0

Solubility in water at 20 C

mg kg-1

19,000

Heat of combustion at 25 C

MJ kg

37.56

Hildebrand solubility parameter

(MPa)1/2

21.68

dD

18.7

dP

5.8

o

o

Hansen solubility parameters, (MPa)

1/2

-1

dH Henry’s law constant

12.0

atm/m -mol 3

-1

7.31E-07

HEALTH & SAFETY NFPA classification

HMIS classification

Flammability

2

Health

3

Reactivity

0

Flammability

1

Health

3

Reactivity

1

UN risk phrases, R

R24/25,R34, R21/22,R36/38

US safety phrases, S

S1/2,S36/37/39,S45

UN number

-

UN/NA hazard class

6.1

UN packaging group

II

3455

DOT class

6.1, II

ICAO/IATA class, packaging group

UN 3455 CRESOLS, SOLID, 6.1 (8), II

IMDG class, packaging group

UN 3455 CRESOLS, SOLID, 6.1 (8), II

Proper shipping name

cresols, solid

Autoignition temperature

o

C

Flash point

o

C

Flash point method

-

CC

Explosion limit, lower

wt%

1.0

Explosion limit, upper

wt%

7.6

Threshold limiting value – TWA 8h, ACGIH

mg m-3

22

Threshold limiting value – TWA 8h, ACGIH

ppm

5

Threshold limiting value – TWA 8h, NIOSH

ppm

10

Threshold limiting value – TWA 8h, OSHA

mg m-3

22

Threshold limiting value – TWA 8h, OSHA

ppm

5

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

207-1,800

Animal testing, acute toxicity, Mouse oral LD50

mg kg

344

555-559 86

-1

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Cresol, pPARAMETER

UNIT

VALUE

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

301

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Biological oxygen demand, 20 days

g g-1

1.44

Chemical oxygen demand

g g-1

2.39

Theoretical oxygen demand

gg

2.52

Aquatic toxicity, Daphnia magna, 48-h LC50

mg l

Aquatic toxicity Fathead minnow, 96-h LC50

mg l-1

19

Montreal protocol

-

N

Partition coefficient

logKow

1.94

-1 -1

7.7-22.7

USE & PERFORMANCE Recommended for products

disinfectants, deodorizers, cleaning, degreasing, solvent

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Cyclohexanol PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Cyclohexanol

CAS #

-

108-93-0

IUPAC name

cyclohexanol

Common name

cyclohexyl alcohol

Common synonyms

hexalin; hexahydrophenol

Acronym

-

CYHAOL

Empirical formula

-

C6H12O

Formula

OH Molecular mass

daltons

100.18

RTECS number

-

GV8750000

Chemical category

-

alcohol

Mixture

-

N

EC number

-

203-630-6

PHYSICAL PROPERTIES State

-

S

Odor

-

camphor-like

Odor threshold

ppm

0.150

Color

-

colorless to yellow

Boiling point

o

C

Freezing point

o

C

Refractive index at 20oC

-

1.4650

Specific gravity

-

0.968

Specific gravity temperature

o

Vapor density

air=1

3.50

Vapor pressure

kPa

0.1333

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

Enthalpy of vaporization

kJ mol-1

45.44

Enthalpy of vaporization temperature

K

431.7

Donor number

kcal mol-1

Polarity parameter, ET(30)

kcal mol

Corrosivity

-

N

Molar volume

cm3 mol-1

105.7

161.1 25.15

C

25

C

20

-1

0.05

25.0 47.2

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Cyclohexanol PARAMETER

UNIT

VALUE

Coefficients of Antoine equation

coefficient A

3.08077

coefficient B

777.363

coefficient C

-182.037

Temperature range of Antoine equation

K

366.9 to 433.8

Viscosity

mPas (cP)

41.07

Viscosity temperature

o

Surface tension at 20oC

mN m-1

33.91

Solubility in water at 20 C

mg kg

42000

o

C

30 -1

Heat of combustion at 25 C

MJ kg

-1

38.43

Coefficient of thermal expansion

10-4 oC-1 (K-1)

10.30

Hildebrand solubility parameter

(MPa)1/2

23.32

dD

17.4

dP

4.1

o

Hansen solubility parameters, (MPa)

1/2

dH

13.5

Henry’s law constant

atm/m -mol

Relative permittivity

-

15.00

Flammability

2

Health

1

Reactivity

0

Flammability

1

Health

1

Reactivity

1

3

-1

1.02E-04

HEALTH & SAFETY NFPA classification

HMIS classification

UN risk phrases, R

R20/22,R37/38

US safety phrases, S

S24/25

DOT class

not regulated

Autoignition temperature

o

C

300

Flash point

o

C

66

Flash point method

-

CC

Explosion limit, lower

wt%

1.20

Explosion limit, upper

wt%

9.30

Threshold limiting value – TWA 8h, ACGIH

mg m

206

Threshold limiting value – TWA 8h, ACGIH

ppm

50

Threshold limiting value – TWA 8h, NIOSH

mg m-3

200

Threshold limiting value – TWA 8h, NIOSH

ppm

50

Threshold limiting value – TWA 8h, OSHA

mg m-3

200

Threshold limiting value – TWA 8h, OSHA

ppm

20

-3

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Cyclohexanol PARAMETER

UNIT

VALUE

Maximum exposure concentration NIOSH-IDLH

mg m-3

14595

Maximum exposure concentration NIOSH-IDLH

ppm

400

Maximum concentration, any time, ACGIH

mg m-3

206

Maximum concentration, any time, ACGIH

ppm

50

Maximum concentration, any time, OSHA

mg m-3

200

Maximum concentration, any time, OSHA

ppm

50

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

2060

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

12000

Route of entry

Inh, Abs, Ing, Con

Skin irritation

Causes skin irritation

Eye irritation

Causes eye irritation

Inhalation

Causes respiratory tract irritation

Target organs

Eye,RspSys,Skin

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

Mutagenic properties

N

-1

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

Theoretical oxygen demand

gg

Bioconcentration factor

-

0.70

Biodegradation probability

-

days-weeks

Hydroxyl rate constant

cm3 molecule-1 s-1

1.74E-11

Montreal protocol

-

N

-1

1.97 2.72

Partition coefficient

logKow

1.23

Urban ozone formation potential

C2H4=1

0.19

Soil absorption constant

-

0.91

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Cyclooctanol PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Cyclooctanol

CAS #

-

696-71-9

IUPAC name

cyclooctanol

Empirical formula

-

C8H16O

Formula

OH

Molecular mass

daltons

128.22

Chemical category

-

alcohol

Mixture

-

N

EC number

-

211-800-6

State

-

L

Boiling point

o

C

207.0

Freezing point

o

C

15.0

PHYSICAL PROPERTIES

Refractive index at 20 C

-

o

1.4860

Specific gravity

-

0.966

Vapor pressure

kPa

0.0133

Vapor pressure temperature

o

Corrosivity

-

Molar volume

cm3 mol-1

C

20 N 139.2

Heat of combustion at 25 C

MJ kg

Hansen solubility parameters, (MPa)1/2

dD

17.0

dP

4.7

dH

10.0

Flammability

2

Health

1

Reactivity

1

o

-1

40.22

HEALTH & SAFETY HMIS classification

UN risk phrases, R

R22,R36/38

DOT class

not regulated

Flash point

o

Animal testing, acute toxicity, Rat oral LD50

mg kg

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

C

88 -1

735

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Cyclooctanol PARAMETER

UNIT

VALUE

Montreal protocol

-

N

Partition coefficient

logKow

2.62

ECOLOGICAL PROPERTIES

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Dodecanol, 1PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Dodecanol, 1-

CAS #

-

112-53-8

IUPAC name

dodecan-1-ol

Common name

n-dodecanol

Common synonyms

lauryl alcohol

Empirical formula

-

C12H26O

Formula

CH3(CH2)10CH2OH

Molecular mass

daltons

186.3

RTECS number

-

JR5775000

Chemical category

-

alcohol

Mixture

-

N

EC number

-

203-982-0

State

-

L

Odor

-

fatty odor

Color

-

colorless

Boiling point

o

C

259.0

Freezing point

o

C

25

PHYSICAL PROPERTIES

Refractive index at 20 C

-

1.4410

Specific gravity

-

0.831

Specific gravity temperature

o

Vapor density

air=1

3.50

Vapor pressure

kPa

0.0001

Vapor pressure temperature

o

Enthalpy of vaporization

kJ mol-1

84.76

Enthalpy of vaporization temperature

K

343.2

Acceptor number

-

29.1

Polarity parameter, ET(30)

kcal mol-1

47.5

Corrosivity

-

N

Molar volume

cm mol

Coefficients of Antoine equation

coefficient A

4.84691

coefficient B

2057.697

o

C

25

C

25

3

-1

224.3

coefficient C

-105.421

Temperature range of Antoine equation

K

376.5 to 437.6

Viscosity

mPas (cP)

15.72

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Dodecanol, 1PARAMETER

UNIT

Viscosity temperature

o

VALUE

C

25

Solubility in water at 20 C

mg kg-1

Coefficient of thermal expansion

10

Hildebrand solubility parameter

(MPa)1/2

20.23

dD

16.0

dP

4.0

o

Hansen solubility parameters, (MPa)

1/2

-4 o

4

C (K ) -1

-1

dH

8.30

9.3

Henry’s law constant

atm/m -mol

Relative permittivity

-

6.50

Flammability

1

Health

1

Reactivity

1

3

-1

5.20E-05

HEALTH & SAFETY HMIS classification

UN risk phrases, R

R50,R36/37/38

US safety phrases, S

S61

UN number

-

UN/NA hazard class

9

UN packaging group

III

ICAO/IATA class, packaging group

UN 3077 ENVIRONMENTALLY HAZARDOUS SUBSTANCE, SOLID, N.O.S. (1-DODECANOL), 9, III

IMDG class, packaging group

UN 3077 ENVIRONMENTALLY HAZARDOUS SUBSTANCE, SOLID, N.O.S. (1-DODECANOL), 9, III

Autoignition temperature

o

C

275

Flash point

o

C

115

Explosion limit, lower

wt%

0.60

Explosion limit, upper

wt%

Animal testing, acute toxicity, Rat oral LD50

3077

5.11 -1

mg kg

12800

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

-1

19000

Ingestion

May cause irritation of the digestive tract

Skin irritation

May cause skin irritation

Eye irritation

Causes eye irritation

Inhalation

May cause respiratory tract irritation

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

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Dodecanol, 1PARAMETER

UNIT

VALUE

Biological oxygen demand, 5 days

g g-1

0.84

Theoretical oxygen demand

gg

3.09

Montreal protocol

-

N

Partition coefficient

logKow

5.13

ECOLOGICAL PROPERTIES -1

USE & PERFORMANCE Manufacturer

Henkel, Parchem, Acros Organic

Recommended for products

Synthetic detergents, lube additives, rubber, textiles, and esterification agent

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Ethanol (anhydrous) PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Ethanol (anhydrous)

CAS #

-

64-17-5

IUPAC name

ethanol

Common name

ethyl alcohol

Acronym

-

EtOH

Empirical formula

-

C2H6O

Formula

CH3CH2OH

Molecular mass

daltons

46.069

RTECS number

-

KQ6300000

Chemical category

-

alcohol

Mixture

-

N

EC number

-

200-578-6

Product contents

ethanol >96.0 %

PHYSICAL PROPERTIES State

-

L

Odor

-

characteristic

Odor threshold

ppm

350

Color

-

colorless

Boiling point

o

C

Freezing point

o

C

Refractive index at 20oC

-

1.3620

Specific gravity

-

0.794

Specific gravity temperature

o

Vapor density

air=1

1.59

Vapor pressure

kPa

5.9466

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

2.0

Enthalpy of vaporization

kJ mol-1

38.56

Enthalpy of vaporization temperature

K

351.5

Acceptor number

-

Donor number

kcal mol

-1

Polarity parameter, ET(30)

kcal mol

-1

Acid dissociation constant

-

15.90

Corrosivity

-

N

Molar volume

cm3 mol-1

58.6

78.4 -114.15

C

15

C

20

37.1 32.0 51.9

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Ethanol (anhydrous) PARAMETER

UNIT

VALUE

Coefficients of Antoine equation

coefficient A

5.24677

coefficient B

1598.673

coefficient C

-46.424

Temperature range of Antoine equation

K

292.8 to 366.6

Viscosity

mPas (cP)

1.263

Viscosity temperature

o

Surface tension at 20oC

mN m-1

21.99

Solubility in water at 20 C

mg kg

infinite

o

C

20 -1

Heat of combustion at 25 C

MJ kg

-1

29.67

Coefficient of thermal expansion

10-4 oC-1 (K-1)

11.80

Hildebrand solubility parameter

(MPa)1/2

26.43

dD

15.8

dP

8.8

o

Hansen solubility parameters, (MPa)

1/2

dH

19.4

Henry’s law constant

atm/m -mol

Relative permittivity

-

24.30

Flammability

3

Health

0

Reactivity

0

3

-1

5.20E-06

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R11

US safety phrases, S

S2,S7,S16

UN number

-

UN/NA hazard class

3

UN packaging group

II

1170

DOT class

3, II

ICAO/IATA class, packaging group

UN 1170 ETHANOL, 3, II

IMDG class, packaging group

UN 1170 ETHANOL, 3, II

Proper shipping name

ethanol

Autoignition temperature

o

C

425

Flash point

o

C

13.0

Flash point method

-

TCC

Explosion limit, lower

wt%

3.30

Explosion limit, upper

wt%

19.00

Threshold limiting value – TWA 8h, ACGIH

mg m-3

1900

Threshold limiting value – TWA 8h, ACGIH

ppm

1000

Threshold limiting value – TWA 8h, NIOSH

mg m

-3

1900

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Ethanol (anhydrous) PARAMETER

UNIT

VALUE

Threshold limiting value – TWA 8h, NIOSH

ppm

1000

Threshold limiting value – TWA 8h, OSHA

mg m-3

1900

Threshold limiting value – TWA 8h, OSHA

ppm

1000

Maximum exposure concentration NIOSH-IDLH

ppm

Animal testing, acute toxicity, Rat oral LD50

3300

mg kg

-1

7060

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

-1

20000

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

Route of entry

Inh, Ing

First aid: inhalation

Move to fresh air. Treat symptomatically. Get medical attention if symptoms persist.

Target organs

Lvr,CNS,Kdny

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

Mutagenic properties

Y

20000/10H

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

1.27

Biological oxygen demand, 20 days

gg

-1

1.79

Chemical oxygen demand

g g-1

1.99

Theoretical oxygen demand

gg

2.09

-1

Bioconcentration factor

-

-0.50

Biodegradation probability

-

days-weeks

Hydroxyl rate constant

cm3 molecule-1 s-1

3.27E-12

Montreal protocol

-

N

Partition coefficient

logKow

-0.31

Urban ozone formation potential

C2H4=1

0.12

Soil absorption constant

-

0.20

UV absorption

nm

<205

USE & PERFORMANCE Manufacturer

BASF AG, Dow, Merck Schuchardt OHG

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Ethylhexanol, 2PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Ethylhexanol, 2-

CAS #

-

110-80-5

IUPAC name

2-ethoxyethanol

Common name

cellosolve

Common synonyms

ethylene glycol monoethyl ether

Acronym

-

EGEE

Empirical formula

-

C4H10O2

Formula

CH3CH2OCH2CH2OH

Molecular mass

daltons

90.14

RTECS number

-

KK8050000

Chemical category

-

glycol ether

Mixture

-

N

EC number

-

203-804-1

Product contents

assay >99%

PHYSICAL PROPERTIES State

-

L

Odor

-

sweet, ether

Odor threshold

ppm

255

Color

-

colorless

Boiling point

o

C

135.5

Freezing point

o

C

-100.00

Refractive index at 20 C

-

1.4060

Specific gravity

-

0.925

Specific gravity temperature

o

Vapor density

air=1

3.11

Vapor pressure

kPa

0.71

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

0.38

Enthalpy of vaporization

kJ mol-1

39.22

Enthalpy of vaporization temperature

K

408.1

Polarity parameter, ET(30)

kcal mol-1

5.100

Acid dissociation constant

-

14.80

Corrosivity

-

N

Molar volume

cm3 mol-1

97.5

o

C

C

25

25

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Ethylhexanol, 2PARAMETER

UNIT

VALUE

Coefficients of Antoine equation

coefficient A

6.944

coefficient B

1801.9

coefficient C

230

Viscosity

mPas (cP)

1.85

Viscosity temperature

o

C

25

Surface tension at 20 C

mN m

Solubility in water at 20oC

mg kg-1

Heat of combustion at 25 C

MJ kg

Specific heat at 25 C

kJ K mol

Coefficient of thermal expansion

10-4 oC-1 (K-1)

11.50

Hildebrand solubility parameter

(MPa)1/2

20.25

dD

15.9

dP

7.2

o

o

o

Hansen solubility parameters, (MPa)

infinite 28.13

-1

-1

1/2

28.20

-1

210.79

-1

dH

14.0

Henry’s law constant

atm/m -mol

Relative permittivity

-

29.60

Flammability

2

Health

2

Reactivity

1

3

-1

1.23E-07

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R60,R61,R10,R20/21/22

US safety phrases, S

S53,S45

UN number

-

UN/NA hazard class

3

UN packaging group

III

1171

DOT class

3, III

ICAO/IATA class, packaging group

UN 1171 ETHYLENE GLYCOL MONOETHYL ETHER, 3, III

IMDG class, packaging group

UN 1171 ETHYLENE GLYCOL MONOETHYL ETHER, 3, III

Proper shipping name

ethylene glycol monoethyl ether

Autoignition temperature

o

C

235

Flash point

o

C

44

Flash point method

-

CC

Explosion limit, lower

wt%

1.70

Explosion limit, upper

wt%

Threshold limiting value – TWA 8h, ACGIH

mg m

18

Threshold limiting value – TWA 8h, ACGIH

ppm

5

15.60 -3

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Ethylhexanol, 2PARAMETER

UNIT

VALUE

Threshold limiting value – TWA 8h, NIOSH

mg m-3

1.8

Threshold limiting value – TWA 8h, NIOSH

ppm

0.5

Threshold limiting value – TWA 8h, OSHA

mg m-3

740

Threshold limiting value – TWA 8h, OSHA

ppm

200

Maximum exposure concentration NIOSH-IDLH

ppm

500

Maximum concentration, any time, NIOSH

mg m

1.8

Maximum concentration, any time, NIOSH

ppm

0.5

Maximum concentration, any time, OSHA

mg m-3

740

Maximum concentration, any time, OSHA

ppm

200

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

2125

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

3300

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

-3

-1

2000/7H

Route of entry

Inh, Abs, Ing, Con

Ingestion

Harmful if swallowed

Skin irritation

May cause skin irritation

Eye irritation

May cause eye irritation

Inhalation

Causes respiratory tract irritation

First aid: skin

Immediately flush with plenty of for at least 15 minutes while removing contaminated clothing and shoes. Get medical attention. Wash contaminated clothing before reuse. Destroy or thoroughly clean contaminated shoes.

First aid: inhalation

Move to fresh air. Treat symptomatically. Get medical attention if symptoms persist.

Target organs

Lung,Eye,Bld,Kdny,Lvr

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

Mutagenic properties

Y

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

1.03

Chemical oxygen demand

gg

-1

1.92

Theoretical oxygen demand

g g-1

1.96

Bioconcentration factor

-

-0.30

Biodegradation probability

-

days-weeks

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Ethylhexanol, 2PARAMETER

UNIT

VALUE

Hydroxyl rate constant

cm3 molecule-1 s-1

1.54E-11

Montreal protocol

-

N

Partition coefficient

logKow

-0.32

Urban ozone formation potential

C2H4=1

0.39

Soil absorption constant

-

1.32

UV absorption

nm

<215

USE & PERFORMANCE Manufacturer

Acros Organics, Merck Schuchardt OHG

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Ethylphenol, 3PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Ethylphenol, 3-

CAS #

-

620-17-7

IUPAC name

3-ethylphenol

Common name

m-ethylphenol

Empirical formula

-

C8H10O

Formula

H O Molecular mass

daltons

122.17

Chemical category

aromatic hydrocarbon

Mixture

-

N

EC number

-

210-627-3

Product contents

3-ethylphenol >98 wt%

PHYSICAL PROPERTIES State

-

Boiling point

o

L

C

212-218.4

Freezing point

o

C

-4

Refractive index at 20oC

-

1.533

Specific gravity

-

Specific gravity temperature

o

Acid dissociation constant

-

9.9

Corrosivity

-

Y

Molar volume

cm3 mol-1

126.2

Coefficients of Antoine equation

coefficient A

2.78216

coefficient B

849.051

coefficient C

-189.088

Temperature range of Antoine equation

K

370.3 to 491.3

Heat of combustion at 25oC

MJ kg-1

38.6

dD

17.9

dP

4.0

dH

9.9

Flammability

1

Health

1

Reactivity

1

Hansen solubility parameters, (MPa)

1/2

C

1.028 4

HEALTH & SAFETY HMIS classification

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Ethylphenol, 3PARAMETER

UNIT

UN risk phrases, R

R20/21/22

US safety phrases, S

S36/37

VALUE

UN number

-

UN/NA hazard class

8

3145

UN packaging group

III

DOT class

UN 3145 alkylphenols, liquid, n.o.s., corrosive material, 8, III

ICAO/IATA class, packaging group

UN 3145 alkylphenols, liquid, n.o.s., corrosive material, 8, III

IMDG class, packaging group

UN 3145 alkylphenols, liquid, n.o.s., corrosive material, 8, III

Proper shipping name

alkylphenols, liquid, n.o.s., corrosive material

Flash point

o

C

94

Explosion limit, lower

wt%

1.1

Explosion limit, upper

wt%

6.7

Ingestion

Harmful if swallowed

Skin irritation

Causes skin irritation

Eye irritation

Causes serious eye damage

Inhalation

May cause respiratory tract irritation

First aid: eyes

Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the eyelids. Get medical aid

First aid: skin

Flush skin with plenty of soap and water for at least 15 min, seek medical advice

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Bioconcentration factor

-

40

Montreal protocol

-

N

Partition coefficient

logKow

2.4

USE & PERFORMANCE Recommended for products

adhesives, sealants, paints, coatings, solvents

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Furfuryl alcohol PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Furfuryl alcohol

CAS #

-

98-00-0

IUPAC name

2-furylmethanol

Common name

2-furanmethanol

Common synonyms

furfural alcohol

Empirical formula

-

Formula

C5H6O2

O CH2OH

Molecular mass

daltons

98.1

RTECS number

-

LU9100000

Chemical category

-

alcohol

Mixture

-

N

EC number

-

202-626-1

Moisture content

wt%

0.3

Product contents

furfuryl alcohol 60-100%

PHYSICAL PROPERTIES State

-

L

Odor

-

slight pungent

Odor threshold

ppm

8.0

Color

collorless to dark red

Boiling point

o

C

171.0

Freezing point

o

C

-14.60

Refractive index at 20 C o

-

1.4870

Specific gravity

-

Specific gravity temperature

o

Vapor density

air=1

3.38

Vapor pressure

kPa

0.053

Vapor pressure temperature

o

Evaporation rate

ether=1

443.0

Corrosivity

-

Y

Molar volume

cm3 mol-1

87.1

Coefficients of Antoine equation

coefficient A

8.89637

pH

C

C

1.128 20

20

coefficient B

2581.98

coefficient C

250.683

-

4-6 (30% solution)

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Furfuryl alcohol PARAMETER

UNIT

Viscosity

mPas (cP)

Viscosity temperature

o

Surface tension at 20oC

mN m-1

Solubility in water at 20oC

mg kg-1

Specific heat at 25 C

kJ K mol

Coefficient of thermal expansion

10

Hildebrand solubility parameter

(MPa)1/2

25.57

dD

17.4

dP

7.6

o

Hansen solubility parameters, (MPa)

VALUE 25

-1

1/2

4.62

C

-4 o

38.00 miscible 205.85

-1

C (K ) -1

-1

dH Henry’s law constant

7.68

15.1

atm/m -mol 3

-1

7.86E-08

HEALTH & SAFETY NFPA classification

Flammability

2

Health

1

Reactivity

1

UN risk phrases, R

R20/21/22,R40,R23,R36/37/38

US safety phrases, S

S2

UN number

-

UN/NA hazard class

6.1

UN packaging group

III

2874

DOT class

6.1, III

ICAO/IATA class, packaging group

UN 2874 FURFURYL ALCOHOL, 6.1, III

IMDG class, packaging group

UN 2874 FURFURYL ALCOHOL, 6.1, III

Proper shipping name

furfuryl alcohol

Autoignition temperature

o

C

Flash point

o

C

Flash point method

-

CC

Explosion limit, lower

wt%

1.80

Explosion limit, upper

wt%

16.30

Threshold limiting value – TWA 8h, ACGIH

mg m-3

40

Threshold limiting value – TWA 8h, ACGIH

ppm

10

490 65

Threshold limiting value – TWA 8h, NIOSH

mg m

40

Threshold limiting value – TWA 8h, NIOSH

ppm

10

Threshold limiting value – TWA 8h, OSHA

mg m-3

200

Threshold limiting value – TWA 8h, OSHA

ppm

50

Maximum exposure concentration NIOSH-IDLH

mg m-3

1020

Maximum exposure concentration NIOSH-IDLH

ppm

75

-3

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Furfuryl alcohol PARAMETER

UNIT

VALUE

Maximum concentration, any time, NIOSH

mg m-3

40

Maximum concentration, any time, NIOSH

ppm

10

Maximum concentration, any time, OSHA

mg m-3

40

Maximum concentration, any time, OSHA

ppm

10

Maximum concentration, 15 min., ACGIH

mg m-3

60

Maximum concentration, 15 min., ACGIH

ppm

10

Maximum concentration, 15 min., NIOSH

mg m-3

60

Maximum concentration, 15 min., NIOSH

ppm

15

Maximum concentration, 15 min., OSHA

mg m

Maximum concentration, 15 min., OSHA

ppm

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

132-275

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

400-657

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

Route of entry

Inh, Abs, Ing, Con

Ingestion

Toxic if swallowed

Skin irritation

Causes skin irritation

Eye irritation

Causes eye irritation

Inhalation

Fatal if inhaled

First aid: eyes

In case of contact with eyes, rinse immediately with plenty of water and seek medical advice

First aid: skin

Remove contaminated clothes, rinse skin with water. Get medical advice

First aid: inhalation

IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing. Immediately call a POISON CENTER

Target organs

RspSys,CNS,Kdny

Carcinogenicity IARC

Suspected of causing cancer

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

Mutagenic properties

Y

41

-3

10 -1

233/4H

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

0.54

Biological oxygen demand, 20 days

g g-1

1.31

Chemical oxygen demand

gg

-1

1.79

Theoretical oxygen demand

g g-1

1.79

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Furfuryl alcohol PARAMETER

UNIT

VALUE

Aquatic toxicity, Daphnia magna, 48-h LC50

mg l-1

224

Bioconcentration factor

-

-0.10

Biodegradation probability

-

days-weeks

Hydroxyl rate constant

cm3 molecule-1 s-1

1.04E-10

Montreal protocol

-

N

Partition coefficient

logKow

0.30

Urban ozone formation potential

C2H4=1

1.16

Soil absorption constant

-

0.93

UV absorption

nm

269.5, 215.8 (MeOH)

Manufacturer

-

generic

Recommended for products

Wood impregnation/modification, professional end-use of acid resistant coating

USE & PERFORMANCE

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Hexanol, 1PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Hexanol, 1-

CAS #

-

Common name

n-hexanol

Common synonyms

n-hexyl alcohol; amyl carbinol

Empirical formula

-

111-27-3

C6H14O

Formula

CH3(CH2)5OH

Molecular mass

daltons

102.18

RTECS number

-

MQ4025000

Chemical category

-

alcohol

Mixture

-

N

EC number

-

203-852-3

Product contents

1-hexanol >98%

PHYSICAL PROPERTIES State

-

L

Odor

-

fatty, fruity

Odor threshold

ppm

0.090

Color

-

colorless

Boiling point

o

C

Freezing point

o

C

Refractive index at 20oC

-

1.4160

Specific gravity

-

0.820

Specific gravity temperature

o

Vapor density

air=1

3.50

Vapor pressure

kPa

0.1

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

0.05

Enthalpy of vaporization

kJ mol-1

44.50

Enthalpy of vaporization temperature

K

430.5

Donor number

kcal mol-1

Polarity parameter, ET(30)

kcal mol

Corrosivity

-

N

Molar volume

cm3 mol-1

125.2

Coefficients of Antoine equation

coefficient A

4.41271

coefficient B

1422.031

coefficient C

-107.706

157.0 -52.00

C

20

C

20

-1

30.0 48.8

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Hexanol, 1PARAMETER

UNIT

VALUE

Temperature range of Antoine equation

K

325.3 to 430.4

Viscosity

mPas (cP)

0.592

Viscosity temperature

o

Surface tension at 20oC

mN m-1

25.73

Solubility in water at 20 C

mg kg

-1

5900

Heat of combustion at 25 C

MJ kg

-1

39.11

Specific heat at 25oC

kJ K-1 mol-1

Coefficient of thermal expansion

10

Hildebrand solubility parameter

(MPa)

Hansen solubility parameters, (MPa)1/2

dD

15.9

dP

5.8

o

o

C

25

-4 o

C (K ) -1

-1

1/2

241.33 9.00 21.89

dH

12.5

Henry’s law constant

atm/m3-mol-1

2.11E-05

Relative permittivity

-

13.30

Flammability

2

Health

1

Reactivity

0

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R22

US safety phrases, S

S24/25

UN number

-

UN packaging group

III

2282

DOT class

3, III

ICAO/IATA class, packaging group

UN 2282 HEXANOLS, 3, III

IMDG class, packaging group

UN 2282 HEXANOLS, 3, III

Proper shipping name

hexanols

Autoignition temperature

o

C

285

Flash point

o

C

62.0

Flash point method

-

TOC

Explosion limit, lower

wt%

1.20

Explosion limit, upper

wt%

7.70

Threshold limiting value – TWA 8h, OSHA

ppm

100

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

200-2000

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

>2000

Route of entry

Inh, Abs, Ing

Ingestion

Harmful if swallowed

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Hexanol, 1PARAMETER

UNIT

VALUE

Skin irritation

Causes skin irritation

Eye irritation

Causes serious eye irritation

Inhalation

Toxic if inhaled. May cause respiratory irritation

First aid: eyes

Immediately flush eye(s) with plenty of water. Remove contact lenses. Protect unharmed eye. Keep eye wide open while rinsing. Contact ophthalmologist

First aid: skin

Flush skin with water until all chemical is removed. Remove clothing contaminated with liquid and wash before reuse.

First aid: inhalation

Remove victim to fresh air and keep at rest in a position comfortable for breathing

Target organs

CNS,RspSys

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

1.50

Chemical oxygen demand

gg

-1

2.65

Theoretical oxygen demand

gg

-1

2.82

Aquatic toxicity, Daphnia magna, 48-h LC50

mg l-1

201/24H

Aquatic toxicity Fathead minnow, 96-h LC50

mg l

97

-1

Bioconcentration factor

-

1.31

Biodegradation probability

-

77% 30 days

Hydroxyl rate constant

cm3 molecule-1 s-1

1.24E-11

Montreal protocol

-

N

Partition coefficient

logKow

2.03

Urban ozone formation potential

C2H4=1

0.16

Soil absorption constant

-

0.92

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Isobutyl alcohol PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Isobutyl alcohol

CAS #

-

78-83-1

IUPAC name

2-methylpropan-1-ol

Common name

isobutanol

Common synonym

2-methyl-1-propanol

Empirical formula

-

C4H10O

Formula

O

H

Molecular mass

daltons

74.14

RTECS number

-

NP9625000

Chemical category

-

alcohol

Mixture

-

N

EC number

-

201-148-0

Product contents

isobutanol, 99.5%

PHYSICAL PROPERTIES State

-

L

Odor

-

sweet, musty

Odor threshold

ppm

1.6

Color

-

colorless

Boiling point

o

Refractive index at 20oC

-

1.3957

Specific gravity

-

0.802

Specific gravity temperature

o

Vapor density

air=1

2.6

Vapor pressure

kPa

0.95

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

C

107.9

C

20

C

20 0.74 41.82

Enthalpy of vaporization

kJ mol

Enthalpy of vaporization temperature

K

Corrosivity

-

Molar volume

cm mol

Coefficients of Antoine equation

coefficient A

4.43126

coefficient B

1236.991

Temperature range of Antoine equation

-1

381.1 N 3

-1

92.9

coefficient C

-101.528

K

353.4 to 388.8

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Isobutyl alcohol PARAMETER

UNIT

Viscosity

mPas (cP)

Viscosity temperature

o

Surface tension at 20oC

mN m-1

23.0

Solubility in water at 20oC

mg kg-1

85,000

Heat of combustion at 25 C

MJ kg

Specific heat at 25 C

kJ K mol

Thermal conductivity at 25oC

W m-1 K-1

Coefficient of thermal expansion

10

Hildebrand solubility parameter

(MPa)

Hansen solubility parameters, (MPa)1/2

dD

15.1

dP

5.7

o

o

VALUE 3.9

C

20

-1

-4 o

36.26

-1 -1

133.3

C (K ) -1

181

-1

1/2

10.2 21.48

dH

15.9

Henry’s law constant

atm/m3-mol-1

1.18E-05

Relative permittivity

-

17.93

Flammability

3

Health

1

Reactivity

0

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R10,R37/38,R41,R67

US safety phrases, S

S7/9,S13,S26,S37/39,S46

UN number

-

UN/NA hazard class

3

UN packaging group

III

DOT class

3, III

ICAO/IATA class, packaging group

UN 1212 ISOBUTANOL, 3, III

1212

IMDG class, packaging group

UN 1212 ISOBUTANOL, 3, III

Proper shipping name

isobutanol

Autoignition temperature

o

C

Flash point

o

C

Flash point method

-

CC

Explosion limit, lower

wt%

1.7

Explosion limit, upper

wt%

10.9

Threshold limiting value – TWA 8h, ACGIH

mg m-3

152

Threshold limiting value – TWA 8h, ACGIH

ppm

50

Threshold limiting value – TWA 8h, NIOSH

mg m-3

150

Threshold limiting value – TWA 8h, NIOSH

ppm

50

Threshold limiting value – TWA 8h, OSHA

mg m

400 31

-3

300

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Isobutyl alcohol PARAMETER

UNIT

VALUE

Threshold limiting value – TWA 8h, OSHA

ppm

100

Maximum exposure concentration NIOSH-IDLH

mg m-3

24,640

Maximum exposure concentration NIOSH-IDLH

ppm

1,600

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

2,460-3,100

Animal testing, acute toxicity, Mouse oral LD50

mg kg

-1

3,500

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

-1

3,400

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

Route of entry

Inh, Ing, Con

Target organs

Eye,Skin,RspSys

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

Mutagenic properties

N

8000/4H

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

0.41

Chemical oxygen demand

gg

-1

2.46

Theoretical oxygen demand

g g-1

2.59

Aquatic toxicity, Bluegill sunfish, 96-h LC50

mg l

-1

1,600

Aquatic toxicity, Daphnia magna, 24-h LC50

mg l

-1

1200

Aquatic toxicity Fathead minnow, 96-h LC50

mg l-1

1,510

Aquatic toxicity, Rainbow trout, 96-h LC50

mg l

1,330

-1

Bioconcentration factor

-

0.35

Biodegradation probability

-

days-weeks

Hydroxyl rate constant

cm3 molecule-1 s-1

6.44E-12

Montreal protocol

-

N

Partition coefficient

logKow

0.76

Urban ozone formation potential

C2H4=1

0.15

Soil absorption constant

-

0.95

UV absorption

nm

<219

Manufacturer

-

Eastman

Recommended for products

Solvent for dyes, e. g. in printing inks, additive in polishes and cleaners, agricultural chemicals, fuels, degreasing, laundry and dishwashing products

USE & PERFORMANCE

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

104

Isopropyl alcohol PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Isopropyl alcohol

CAS #

-

67-63-0

IUPAC name

propan-2-ol

Common name

2-propanol

Common synonyms

isopropanol

Acronym

-

IPA

Empirical formula

-

C3H8O

Formula

CH3CHCH3 OH

Molecular mass

daltons

60.11

RTECS number

-

NT8050000

Chemical category

-

alcohol

Mixture

-

N

EC number

-

200-661-7

Properties

purity  99.8%, water  0.1% max, acidity  0.001%, non-volatile matter  0.001%

PHYSICAL PROPERTIES State

-

L

Odor

-

alcohol odor

Odor threshold

ppm

28.20

Color

-

colorless

Boiling point

o

C

82.2

Freezing point

o

C

-89.00

Refractive index at 20 C o

-

1.3780

Specific gravity

-

Specific gravity temperature

o

0.786

Vapor density

air=1

2.1

Vapor pressure

kPa

4.1

Vapor pressure temperature

o

C

20

Evaporation rate

butyl acetate=1

2.90

Evaporation rate

ether=1

11.0

Enthalpy of vaporization

kJ mol

39.85

Enthalpy of vaporization temperature

K

Acceptor number

-

Donor number

kcal mol

C

20

-1

355.4 33.5 -1

36.0

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105

Isopropyl alcohol PARAMETER

UNIT

VALUE

Polarity parameter, ET(30)

kcal mol-1

48.4

Corrosivity

-

N

Molar volume

cm3 mol-1

76.9

Coefficients of Antoine equation

coefficient A

4.57795

coefficient B

1221.423

coefficient C

-87.474

K

395.1 to 508.2

Viscosity

mPas (cP)

2.1

Viscosity temperature

o

Surface tension at 20oC

mN m-1

21.40

Solubility in water at 20 C

mg kg

-1

infinite

Heat of combustion at 25 C

MJ kg

-1

31.23

Specific heat at 25oC

kJ K-1 mol-1

Coefficient of thermal expansion

10

Hildebrand solubility parameter

(MPa)

Hansen solubility parameters, (MPa)1/2

dD

15.8

dP

6.1

Temperature range of Antoine equation

o

o

C

25

-4 o

180.04

C (K ) -1

-1

dH Henry’s law constant

9.00 23.52

1/2

16.4

atm/m -mol 3

-1

7.89E-06

Relative permittivity

-

18.60

Electrical conductivity

pS m-1

6.00E+06

Flammability

3

Health

1

Reactivity

0

Flammability

3

Health

2

Reactivity

0

HEALTH & SAFETY NFPA classification

HMIS classification

UN risk phrases, R

R11,R36,R67

US safety phrases, S

S7,S16,S24/25,S26

UN number

-

UN/NA hazard class

3

UN packaging group

II

1219

DOT class

3, II

ICAO/IATA class, packaging group

UN 1219 ISOPROPANOL, 3, II

IMDG class, packaging group

UN 1219 ISOPROPANOL, 3, II

Proper shipping name

isopropanol

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106

Isopropyl alcohol PARAMETER

UNIT

VALUE

Autoignition temperature

o

C

399

Flash point

o

C

12

Flash point method

-

TCC

Explosion limit, lower

wt%

2.0

Explosion limit, upper

wt%

12.0

Threshold limiting value – TWA 8h, ACGIH

mg m

983

Threshold limiting value – TWA 8h, ACGIH

ppm

400

Threshold limiting value – TWA 8h, NIOSH

mg m-3

980

Threshold limiting value – TWA 8h, NIOSH

ppm

400

Threshold limiting value – TWA 8h, OSHA

mg m-3

980

Threshold limiting value – TWA 8h, OSHA

ppm

400

-3

30000

Maximum exposure concentration NIOSH-IDLH

mg m

Maximum exposure concentration NIOSH-IDLH

ppm

2000

Maximum concentration, any time, ACGIH

mg m-3

200 TWA; 400 STEL

Maximum concentration, any time, OSHA

mg m-3

980

Maximum concentration, any time, OSHA

ppm

400

Maximum concentration, 15 min., ACGIH

mg m-3

1230

Maximum concentration, 15 min., ACGIH

ppm

500

Maximum concentration, 15 min., NIOSH

mg m

Maximum concentration, 15 min., NIOSH

ppm

500

Maximum concentration, 15 min., OSHA

mg m-3

1225

Maximum concentration, 15 min., OSHA

ppm

500

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

4700-5800

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

12800

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

-3

-3

-1

1225

16000/4H

Route of entry

Inh, Abs, Ing, Con

Skin irritation

Prolonged contact is unlikely to result in absorption of harmful amounts but may cause drying of skin

Eye irritation

May cause moderate irritation

Inhalation

Single exposure is not likely to be hazardous. Excessive inhalation may cause severe irritation to upper respiratory track

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Isopropyl alcohol PARAMETER

UNIT

VALUE

First aid: eyes

Immediately flush eye(s) with plenty of water. Remove contact lenses. Protect unharmed eye. Keep eye wide open while rinsing. Contact ophthalmologist

First aid: skin

Flush skin with water until all chemical is removed. Remove clothing contaminated with liquid and wash before reuse.

First aid: inhalation

Remove victim to fresh air. If breathing stops provide artificial respiration. If breathing is difficult, give oxygen. Call for medical attention

Target organs

Eye,Skin,CNS,RspSys,Lung

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

Mutagenic properties

N

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

1.53

Biological oxygen demand, 20 days

gg

-1

1.68

Chemical oxygen demand

g g-1

2.23

Theoretical oxygen demand

gg

2.40

-1

Bioconcentration factor

-

-0.20

Hydroxyl rate constant

cm3 molecule-1 s-1

5.21E-12

Montreal protocol

-

N

Partition coefficient

logKow

0.05

Urban ozone formation potential

C2H4=1

0.14

Soil absorption constant

-

1.40

UV absorption

nm

181

USE & PERFORMANCE Recommended for products

Lacquers, thinners, cleaners, adhesives pharmaceutical, cosmetics, general purpose cleaners

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

108

Methanol PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Methanol

CAS #

-

67-56-1

IUPAC name

methanol

Common name

methyl alcohol

Common synonyms

carbinol; wood alcohol

Empirical formula

-

CH4O

Formula

CH3OH

Molecular mass

daltons

32.05

RTECS number

-

PC1400000

Chemical category

-

alcohol

Mixture

-

N

EC number

-

200-659-6

State

-

L

Odor

-

pungent

Odor threshold

ppm

100

Color

-

colorless

Boiling point

o

C

Freezing point

o

C

Refractive index at 20oC

-

PHYSICAL PROPERTIES

64.6 -97.68 1.3260

Specific gravity

-

Specific gravity temperature

o

0.786

Vapor density

air=1

1.10

Vapor pressure

kPa

16.933

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

C

25

C

25

Enthalpy of vaporization

kJ mol

Enthalpy of vaporization temperature

K

Acceptor number

-

2.90 35.21

-1

337.7 41.5

Donor number

kcal mol

-1

30.0

Polarity parameter, ET(30)

kcal mol-1

55.4

Acid dissociation constant

-

15.50

Corrosivity

-

Molar volume

cm mol

N 3

-1

40.6

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Methanol PARAMETER

UNIT

VALUE

Coefficients of Antoine equation

coefficient A

5.15863

coefficient B

1569.613

coefficient C

-34.846

Temperature range of Antoine equation

K

353.5 to 512.63

Viscosity

mPas (cP)

0.59

Viscosity temperature

o

Surface tension at 20oC

mN m-1

22.3

Solubility in water at 20 C

mg kg

-1

infinite

Heat of combustion at 25 C

MJ kg

-1

22.66

Specific heat at 25oC

kJ K-1 mol-1

81.46

Thermal conductivity at 25 C

Wm K

0.2134

Hildebrand solubility parameter

(MPa)

Hansen solubility parameters, (MPa)1/2

dD

14.7

dP

12.3

o

o

o

C

20

-1

-1

1/2

29.66

dH

22.3

Henry’s law constant

atm/m3-mol-1

4.45E-06

Relative permittivity

-

32.66

Flammability

3

Health

1

Reactivity

0

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R11,R23/24/25,R39/23/24/25

US safety phrases, S

S7,S16,S36/37,S45

UN number

-

UN/NA hazard class

3 (6.1)

UN packaging group

II

DOT class

3, II

ICAO/IATA class, packaging group

UN 1230 METHANOL, 3 (6.1), II

1230

IMDG class, packaging group

UN 1230 METHANOL, 3 (6.1), II

Proper shipping name

methanol

Autoignition temperature

o

C

Flash point

o

C

Flash point method

-

CC

Explosion limit, lower

wt%

6.0

Explosion limit, upper

wt%

Threshold limiting value – TWA 8h, ACGIH

mg m

262

Threshold limiting value – TWA 8h, ACGIH

ppm

200

470 12

36.0 -3

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Methanol PARAMETER

UNIT

VALUE

Threshold limiting value – TWA 8h, NIOSH

mg m-3

260

Threshold limiting value – TWA 8h, NIOSH

ppm

200

Threshold limiting value – TWA 8h, OSHA

mg m-3

260

Threshold limiting value – TWA 8h, OSHA

ppm

200

Maximum exposure concentration NIOSH-IDLH

mg m-3

33250

Maximum exposure concentration NIOSH-IDLH

ppm

6000

Maximum concentration, any time, ACGIH

ppm

Maximum concentration, 15 min., ACGIH

mg m

Maximum concentration, 15 min., ACGIH

ppm

250

Maximum concentration, 15 min., NIOSH

mg m-3

325

Maximum concentration, 15 min., NIOSH

ppm

250

Maximum concentration, 15 min., OSHA

mg m

Maximum concentration, 15 min., OSHA

ppm

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

6200

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

15800

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

Route of entry

Inh, Abs, Ing, Con

Ingestion

Abdominal pain. Shortness of breath. Vomiting. Convulsions. Unconsciousness.

Skin irritation

Dry skin. Redness

Eye irritation

Redness. Pain.

Inhalation

Cough. Dizziness. Headache. Nausea. Weakness. Visual disturbance.

Target organs

Eye,Skin,CNS,GI,Lvr

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

Mutagenic properties

N

200 -3

-3

328

310 200

-1

64000/4H

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

0.85

Biological oxygen demand, 20 days

gg

-1

1.19

Chemical oxygen demand

gg

-1

1.50

Theoretical oxygen demand

g g-1

1.50

Bioconcentration factor

-

0.48

Biodegradation probability

-

days-weeks

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Methanol PARAMETER

UNIT

VALUE

Hydroxyl rate constant

cm3 molecule-1 s-1

9.32E-13

Montreal protocol

-

N

Partition coefficient

logKow

-0.77

Urban ozone formation potential

C2H4=1

0.08

Soil absorption constant

-

0.44

UV absorption

nm

<220

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112

Methylisobutylcarbinol PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Methyisobutylcarbinol

CAS #

-

108-11-2

IUPAC name

4-methylpentan-2-ol

Common name

methyl amyl alcohol

Common synonym

1,3-dimethyl butanol

Acronym

-

MIBC

Empirical formula

-

C6H14O

Formula

H

O

H

Molecular mass

daltons

102.18

RTECS number

-

SA7350000

Chemical category

-

alcohol

Mixture

-

N

EC number

-

203-551-7

-

L

PHYSICAL PROPERTIES State Odor

-

mild

Odor threshold

ppm

0.07

Color

-

colorless

Boiling point

o

C

131.7

Freezing point

o

C

-90

Refractive index at 20 C

-

1.41

Specific gravity

-

0.807

Specific gravity temperature

o

Vapor density

air=1

3.52

Vapor pressure

kPa

0.5

Vapor pressure temperature

o

C

20

Evaporation rate

butyl acetate=1

0.44

Evaporation rate

ether=1

66

Enthalpy of vaporization

kJ mol

46

Enthalpy of vaporization temperature

K

Corrosivity

-

Molar volume

cm mol

o

C

20

-1

298.2 N 3

-1

127.2

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Methylisobutylcarbinol PARAMETER

UNIT

VALUE

Coefficients of Antoine equation

coefficient A

7.57343

coefficient B

3831.194

coefficient C

101.679

Temperature range of Antoine equation

K

298.0 to 406.0

Viscosity

mPas (cP)

5.2

Viscosity temperature

o

Surface tension at 20oC

mN m-1

22.63

Solubility in water at 20 C

mg kg

16,400

Heat of combustion at 25 C

MJ kg

Coefficient of thermal expansion

10-4 oC-1 (K-1)

11.0

Hildebrand solubility parameter

(MPa)1/2

20.46

dD

15.4

dP

3.3

o

o

Hansen solubility parameters, (MPa)

1/2

C

20 -1

38.83

-1

dH Henry’s law constant

12.3

atm/m -mol 3

-1

4.45E-05

HEALTH & SAFETY NFPA classification

UN risk phrases, R

Flammability

2

Health

2

Reactivity

0

R10,R37

US safety phrases, S

S24/25

UN number

-

2053

UN/NA hazard class

3

UN packaging group

III

DOT class

3, III

ICAO/IATA class, packaging group

UN 2053 METHYL ISOBUTYL CARBINOL, 3, III

IMDG class, packaging group

UN 2053 METHYL ISOBUTYL CARBINOL, 3, III

Proper shipping name

methyl isobutyl carbinol

Flash point

o

Flash point method

-

CC

Explosion limit, lower

wt%

1.0

Explosion limit, upper

wt%

C

39

5.5

Threshold limiting value – TWA 8h, ACGIH

mg m

104

Threshold limiting value – TWA 8h, ACGIH

ppm

25

Threshold limiting value – TWA 8h, NIOSH

mg m-3

100

Threshold limiting value – TWA 8h, NIOSH

ppm

25

-3

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Methylisobutylcarbinol PARAMETER

UNIT

Threshold limiting value – TWA 8h, OSHA

mg m-3

100

Threshold limiting value – TWA 8h, OSHA

ppm

25

Maximum exposure concentration NIOSH-IDLH

mg m-3

8,500

Maximum exposure concentration NIOSH-IDLH

ppm

2,000

Maximum concentration, 15 min., ACGIH

mg m-3

167

Maximum concentration, 15 min., ACGIH

ppm

40

Maximum concentration, 15 min., NIOSH

mg m-3

165

Maximum concentration, 15 min., NIOSH

ppm

40

Maximum concentration, 15 min., OSHA

mg m

Maximum concentration, 15 min., OSHA

ppm

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

2,590

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

3,560

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

Route of entry

Inh, Abs, Ing, Con

Ingestion

May cause irritation of the digestive tract.

Skin irritation

May cause skin irritation.

Eye irritation

May cause eye irritation.

Inhalation

May cause respiratory tract irritation.

Target organs

Eye,Skin

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

Mutagenic properties

N

-3

VALUE

165 40

-1

2,000/4H

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

2.37

Chemical oxygen demand

gg

2.6

Theoretical oxygen demand

g g-1

2.82

Bioconcentration factor

-

1.04

Biodegradation probability

-

days-weeks

Hydroxyl rate constant

cm3 molecule-1 s-1

1.24E-11

Montreal protocol

-

N

-1

Partition coefficient

logKow

1.68

Urban ozone formation potential

C2H4=1

0.16

Soil absorption constant

-

0.77

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Methylisobutylcarbinol PARAMETER

UNIT

VALUE

USE & PERFORMANCE Recommended for products

Solvent in surface coatings, cleaning, degreasing

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Octanol, 1PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Octanol, 1-

CAS #

-

111-87-5

IUPAC name

octan-1-ol

Common name

n-octanol; n-octyl alcohol

Common synonyms

caprylic alcohol

Empirical formula

-

C8H18O

Formula

CH3(CH2)7OH

Molecular mass

daltons

130.26

RTECS number

-

RH6550000

Chemical category

-

alcohol

Mixture

-

N

EC number

-

203-917-6

Product contents

1-octanol, 95-99 wt%,1-decanol, <5 wt%; hexan-1-ol, <1 wt%

PHYSICAL PROPERTIES State

-

L

Odor

-

orange-rose

Odor threshold

ppm

0.002

Color

-

colorless

Boiling point

o

C

204.0

Freezing point

o

C

-14.97

Refractive index at 20 C

-

1.4270

Specific gravity

-

0.822

Specific gravity temperature

o

Vapor density

air=1

4.50

Vapor pressure

kPa

0.009

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

0.01

Enthalpy of vaporization

kJ mol-1

46.90

Enthalpy of vaporization temperature

K

bp

Acceptor number

-

Donor number

kcal mol

-1

Polarity parameter, ET(30)

kcal mol

-1

Corrosivity

-

N

Molar volume

cm3 mol-1

158.2

o

C

25

C

25

30.4 32.0 48.1

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Octanol, 1PARAMETER

UNIT

VALUE

Coefficients of Antoine equation

coefficient A

6.5422

coefficient B

1139.45

coefficient C

115.9

Viscosity

mPas (cP)

7.363

Viscosity temperature

o

C

25

Surface tension at 20 C

mN m

Solubility in water at 20oC

mg kg-1

Heat of combustion at 25 C

MJ kg

Specific heat at 25 C

kJ K mol

Coefficient of thermal expansion

10-4 oC-1 (K-1)

8.96

Hildebrand solubility parameter

(MPa)1/2

21.07

dD

16.0

dP

5.0

o

o

o

Hansen solubility parameters, (MPa)

540 40.73

-1

-1

1/2

26.92

-1

305.56

-1

dH

11.9

Henry’s law constant

atm/m -mol

Relative permittivity

-

10.34

Flammability

2

Health

1

Reactivity

0

Flammability

2

Health

1

Reactivity

0

3

-1

2.52E-05

HEALTH & SAFETY NFPA classification

HMIS classification

UN risk phrases, R

R36

US safety phrases, S

S26

UN number

-

UN/NA hazard class

not regulated

1993

UN packaging group

III

DOT class

not regulated

Proper shipping name

Combustible liquid, n.o.s. (octanol)

Autoignition temperature

o

C

Flash point

o

C

Flash point method

-

CC

Explosion limit, lower

wt%

0.90

Explosion limit, upper

wt%

6.40

Threshold limiting value – TWA 8h, OSHA

ppm

Animal testing, acute toxicity, Rat oral LD50

mg kg

273 81

100 -1

1790

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Octanol, 1PARAMETER

UNIT

VALUE

Route of entry

Ing, Inh

Ingestion

May cause irritation of the digestive tract.

Skin irritation

May cause skin irritation.

Eye irritation

Causes sever eye irritation.

Inhalation

Causes respiratory tract irritation.

First aid: eyes

Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid

First aid: skin

Immediately wash with water and soap and rinse thoroughly. Get medical attention

First aid: inhalation

Move person to fresh air. Give artificial respiration if not breathing. Call a physician.

Target organs

Lung,Kdny

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

Mutagenic properties

Y

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

1.58

Chemical oxygen demand

gg

-1

2.89

Theoretical oxygen demand

gg

-1

2.95

Aquatic toxicity, Daphnia magna, 48-h LC50

mg l-1

Aquatic toxicity Fathead minnow, 96-h LC50

mg l

Bioconcentration factor

-

Biodegradation probability

-

Hydroxyl rate constant

cm molecule s

3.34E-11

Montreal protocol

-

N

Partition coefficient

logKow

3.00

Urban ozone formation potential

C2H4=1

0.18

Soil absorption constant

-

1.56

11.4/24H 11.4

-1

2.03 days 3

-1

-1

USE & PERFORMANCE Recommended for products

Wetting agent, paints, defoaming agent, flavoring agent

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119

Oleyl alcohol PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Oleyl alcohol

CAS #

-

143-28-2

IUPAC name

octadec-9-en-1-ol

Common name

9-octadecen-1-ol

Common synonyms

oleol

Empirical formula

-

Formula

C18H36O

CH3(CH2)7CH

CH(CH2)8OH

Molecular mass

daltons

268.49

RTECS number

-

RG4120000

Chemical category

-

alcohol

Mixture

-

N

EC number

-

205-597-3

-

L

PHYSICAL PROPERTIES State Odor

-

fatty

Color

-

colorless

Boiling point

o

C

Freezing point

o

C

Refractive index at 20oC

-

1.4580

Specific gravity

-

0.850

Specific gravity temperature

o

Vapor pressure

kPa

Vapor pressure temperature

o

Corrosivity

-

Molar volume

cm3 mol-1

330.0 13.0

C

20 1.064

C

195 N 316.0

Heat of combustion at 25 C

MJ kg

Hansen solubility parameters, (MPa)1/2

dD

16.5

dP

2.6

dH

8.0

o

-1

43.57

HEALTH & SAFETY UN risk phrases, R

R36/38

US safety phrases, S

S26,S37/39

UN/NA hazard class

not regulated

DOT class

not regulated

Autoignition temperature

o

C

>250

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Oleyl alcohol PARAMETER

UNIT

Flash point

o

Skin irritation

May cause skin irritation.

Eye irritation

Causes mild eye irritation.

Inhalation

May cause respiratory tract irritation.

First aid: eyes

Flush eyes with plenty of water for at least 15 minutes.

First aid: skin

Wash off with plenty of water. Remove contaminated clothing

First aid: inhalation

Move person to fresh air. Keep warm and rested.

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

C

VALUE 110

ECOLOGICAL PROPERTIES Montreal protocol

-

N

Partition coefficient

logKow

7.50

USE & PERFORMANCE Recommended for products

Coatings, cleaning agents

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Pentanol, 1PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Pentanol, 1-

CAS #

-

71-41-0

IUPAC name

pentan-1-ol

Common name

n-pentanol

Common synonyms

n-amyl alcohol; n-butyl carbinol

Empirical formula

-

C5H12O

Formula

CH3(CH2)4OH

Molecular mass

daltons

88.15

RTECS number

-

SB9800000

Chemical category

-

alcohol

Mixture

-

N

EC number

-

200-752-1

-

L

PHYSICAL PROPERTIES State Odor

-

characteristic

Odor threshold

ppm

10.0

Color

-

colorless

Boiling point

o

C

138.0

Freezing point

o

C

-78.2

Refractive index at 20 C

-

1.4103

Specific gravity

-

0.816

Specific gravity temperature

o

Vapor density

air=1

3.0

Vapor pressure

kPa

0.2933

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

0.18

Enthalpy of vaporization

kJ mol-1

44.36

Enthalpy of vaporization temperature

K

411.2

Acceptor number

-

Donor number

kcal mol

-1

Polarity parameter, ET(30)

kcal mol

-1

Corrosivity

-

N

Molar volume

cm3 mol-1

108.6

o

C

20

C

25

31.0 25.0 49.1

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Pentanol, 1PARAMETER

UNIT

VALUE

Coefficients of Antoine equation

coefficient A

4.68277

coefficient B

1492.549

coefficient C

-91.621

Temperature range of Antoine equation

K

307.0 to 411.0

Viscosity

mPas (cP)

4

Viscosity temperature

o

Surface tension at 20oC

mN m-1

25.70

Solubility in water at 20 C

mg kg

-1

22000

Heat of combustion at 25 C

MJ kg

-1

37.91

Specific heat at 25oC

kJ K-1 mol-1

208.99

Coefficient of thermal expansion

10

9.61

Hildebrand solubility parameter

(MPa)

Hansen solubility parameters, (MPa)1/2

dD

15.9

dP

5.9

o

o

C

20

-4 o

C (K ) -1

-1

1/2

22.30

dH

13.9

Henry’s law constant

atm/m3-mol-1

1.30E-05

Relative permittivity

-

13.90

Flammability

3

Health

1

Reactivity

0

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R10,R20,R37,R66

US safety phrases, S

S36

UN number

-

UN/NA hazard class

3

UN packaging group

III

DOT class

UN 1105 PENTANOLS, 3, III

TDG class

3, III

ICAO/IATA class, packaging group

UN 1105 PENTANOLS, 3, III

IMDG class, packaging group

UN 1105 PENTANOLS, 3, III

Proper shipping name

pentanols

Autoignition temperature

o

C

300

Flash point

o

C

33

Flash point method

-

CC

Explosion limit, lower

wt%

1.20

Explosion limit, upper

wt%

Animal testing, acute toxicity, Rat oral LD50

mg kg

1105

10.50 -1

3760

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Pentanol, 1PARAMETER

UNIT

VALUE

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

2306

Route of entry

Inh, Ing, Con

Skin irritation

MAY BE ABSORBED! Redness.

Eye irritation

Causes eye irritation.

Inhalation

Irritating to respiratory system

First aid: eyes

Rinse eyes immediately with large amounts of water for at least 15 minutes, occasionally lifting the eyelids

First aid: skin

Wash off with plenty of water. Remove contaminated clothing. If irritation persists, get medical attention.

First aid: inhalation

Move person to fresh air. Keep warm and rested. Give artificial respiration if not breathing. Call a physician.

Target organs

CNS,Lung,Kdny

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

Mutagenic properties

Y

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

1.55

Chemical oxygen demand

g g-1

2.21

Theoretical oxygen demand

gg

2.73

Aquatic toxicity, Rainbow trout, 96-h LC50

mg l-1

370 - 490

Bioconcentration factor

-

0.96

Biodegradation probability

readily biodegradable

Hydroxyl rate constant

cm3 molecule-1 s-1

1.08E-11

Montreal protocol

-

N

-1

Partition coefficient

logKow

1.51

Urban ozone formation potential

C2H4=1

0.17

Soil absorption constant

-

0.70

USE & PERFORMANCE Recommended for products

Organic synthesis, resins, pharmaceuticals, nail lacquers

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Phenylethanol, 2PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Phenylethanol, 2-

CAS #

-

1321-27-3

IUPAC name

2-phenylethanol

Empirical formula

-

C8H10O

Formula

CH2CH2OH Molecular mass

daltons

122.17

EC number

-

200-456-2

Chemical category

-

alcohol

Mixture

-

N

State

-

L

Color

-

colorless

Boiling point

o

C

Freezing point

o

C

Refractive index at 20oC

-

1.3310

Specific gravity

-

1.023

Specific gravity temperature

o

Vapor pressure

kPa

Vapor pressure temperature

o

Acceptor number

-

Donor number

kcal mol-1

23.0

Polarity parameter, ET(30)

kcal mol

49.5

PHYSICAL PROPERTIES

219.0 -27.0

C

20 0.0067

C

25 33.8 -1

Acid dissociation constant

-

Corrosivity

-

15.40

Molar volume

cm mol

Viscosity

mPas (cP)

Viscosity temperature

o

Solubility in water at 20oC

mg kg-1

Heat of combustion at 25oC

MJ kg-1

Coefficient of thermal expansion

10

Hildebrand solubility parameter

(MPa)

Hansen solubility parameters, (MPa)1/2

dD

18.3

dP

5.6

dH

11.2

N 3

120.2

-1

1.43

C

25

-4 o

4900 39.60

C (K ) -1

1/2

-1

9.17 23.36

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Phenylethanol, 2PARAMETER

UNIT

VALUE

Henry’s law constant

atm/m3-mol-1

2.82E-06

Flammability

1

Health

1

Reactivity

0

HEALTH & SAFETY NFPA classification

Autoignition temperature

o

C

Flash point

o

436

C

101

Explosion limit, lower

wt%

1.10

Explosion limit, upper

wt%

7.00

Route of entry

Skin, Eye, Ing

Ingestion

Harmful if swallowed.

Skin irritation

Causes skin irritation.

Eye irritation

Causes serious eye damage.

Inhalation

May cause respiratory tract irritation.

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Montreal protocol

-

N

Partition coefficient

logKow

1.36

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Propanol, 1PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Propanol, 1-

CAS #

-

71-23-8

IUPAC name

propan-1-ol

Common name

n-propyl alcohol

Empirical formula

-

C3H8O

Formula

CH3CH2CH2OH

Molecular mass

daltons

60.11

RTECS number

-

UH8225000

Chemical category

-

alcohol

Mixture

-

N

EC number

-

200-746-9

Product contents

1-propanol >99.8 wt %

PHYSICAL PROPERTIES State

-

L

Odor

-

alcohol-like

Odor threshold

ppm

2.60

Color

-

colorless

Boiling point

o

C

97.2

Freezing point

o

C

-127.0

Refractive index at 20 C

-

1.3840

Specific gravity

-

0.799

Specific gravity temperature

o

Vapor density

air=1

2.10

Vapor pressure

kPa

1.93

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

1.0

Evaporation rate

ether=1

12.1

o

C

25

C

Enthalpy of vaporization

kJ mol

Enthalpy of vaporization temperature

K

Acceptor number

-

20

41.44

-1

370.3 33.7

Donor number

kcal mol

-1

30.0

Polarity parameter, ET(30)

kcal mol-1

50.7

Acid dissociation constant

-

16.10

Corrosivity

-

N

Molar volume

cm3 mol-1

75.1

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Propanol, 1PARAMETER

UNIT

VALUE

Coefficients of Antoine equation

coefficient A

5.31384

coefficient B

1690.864

coefficient C

-51.804

Temperature range of Antoine equation

K

292.4 to 370.4

Viscosity

mPas (cP)

2

Viscosity temperature

o

Surface tension at 20oC

mN m-1

23.45

Solubility in water at 20 C

mg kg

-1

infinite

Heat of combustion at 25 C

MJ kg

-1

33.83

Specific heat at 25oC

kJ K-1 mol-1

143.89

Coefficient of thermal expansion

10

11.10

Hildebrand solubility parameter

(MPa)

Hansen solubility parameters, (MPa)1/2

dD

16.0

dP

6.8

o

o

C

25

-4 o

C (K ) -1

-1

1/2

24.91

dH

17.4

Henry’s law constant

atm/m3-mol-1

6.85E-06

Relative permittivity

-

20.45

Flammability

3

Health

1

HEALTH & SAFETY NFPA classification

HMIS classification

UN risk phrases, R

Reactivity

0

Flammability

3

Health

3

Reactivity

0

R11,R41,R67

US safety phrases, S

S7,S16,S24,S26,S39

UN number

-

UN/NA hazard class

3

UN packaging group

II

DOT class

UN 1274 n-PROPANOL, 3, II

ICAO/IATA class, packaging group

UN 1274 n-PROPANOL, 3, II

1274

IMDG class, packaging group

UN 1274 n-PROPANOL, 3, II

Proper shipping name

n-propanol

Autoignition temperature

o

C

412

Flash point

o

C

24.0

Flash point method

-

TCC

Explosion limit, lower

wt%

2.20

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Propanol, 1PARAMETER

UNIT

VALUE

Explosion limit, upper

wt%

13.70

Threshold limiting value – TWA 8h, ACGIH

mg m-3

492

Threshold limiting value – TWA 8h, ACGIH

ppm

200

Threshold limiting value – TWA 8h, NIOSH

mg m-3

500

Threshold limiting value – TWA 8h, NIOSH

ppm

200

Threshold limiting value – TWA 8h, OSHA

mg m

500

Threshold limiting value – TWA 8h, OSHA

ppm

200

Maximum exposure concentration NIOSH-IDLH

mg m-3

10000

Maximum exposure concentration NIOSH-IDLH

ppm

800

Maximum concentration, any time, ACGIH

ppm

Maximum concentration, any time, OSHA

mg m

-3

100 -3

500

Maximum concentration, any time, OSHA

ppm

200

Maximum concentration, 15 min., ACGIH

mg m-3

614

Maximum concentration, 15 min., ACGIH

ppm

250

Maximum concentration, 15 min., NIOSH

mg m

Maximum concentration, 15 min., NIOSH

ppm

Maximum concentration, 15 min., OSHA

mg m-3

625

Maximum concentration, 15 min., OSHA

ppm

250

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

3830

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

10000

Route of entry

Inh, Abs, Ing, Con

Skin irritation

May cause skin irritation.

Eye irritation

Risk of serious damage to eyes.

Inhalation

Vapors may cause drowsiness and dizziness.

First aid: eyes

Flush eyes with a directed stream of water for at least 15 minutes. Contact physician.

First aid: skin

Take off contaminated clothing. Immediately rinse skin with plenty of soap and water for 15-20 minutes. Contact physician.

First aid: inhalation

Remove to fresh air. If rapid recovery does not occur, transport to nearest medical facility for additional treatment

Chronic effects

Skin,Eye,RspSys,GI

Carcinogenicity IARC

N

Carcinogenicity NTP

N

-3

625 250

-1

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Propanol, 1PARAMETER

UNIT

Carcinogenicity OSHA

N

Mutagenic properties

Y

VALUE

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

1.50

Chemical oxygen demand

g g-1

2.18

Theoretical oxygen demand

gg

2.40

-1

Aquatic toxicity, Daphnia magna, 96-h LC50

mg l

-1

804

Aquatic toxicity Fathead minnow, 96-h LC50

mg l-1

804

Bioconcentration factor

-

-1.40

Biodegradation probability

-

days-weeks

Hydroxyl rate constant

cm3 molecule-1 s-1

5.34E-12

Montreal protocol

-

N

Partition coefficient

logKow

0.25

Urban ozone formation potential

C2H4=1

0.14

Soil absorption constant

-

0.48

UV absorption

nm

<210

USE & PERFORMANCE Recommended for products

Cleaners, coatings, printing inks

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Propanol, 2PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Propanol, 2-

CAS #

-

107-98-2

IUPAC name

1-methoxypropan-2-ol

Common name

methoxyisopropanol

Common synonym

propylene glycol methyl ether

Acronym

-

PGME, MPM

Empirical formula

-

C4H10O2

Formula

H

O

H O

Molecular mass

daltons

90.12

RTECS number

-

UB7700000

Chemical category

-

glycol ether

EC number

-

203-539-1

State

-

L

Odor

-

ether-like

Color

-

colorless

Boiling point

o

C

119

Freezing point

o

C

-98

PHYSICAL PROPERTIES

Refractive index at 20 C

-

1.403

Specific gravity

-

0.92

Vapor density

air=1

3.11

Vapor pressure

kPa

1.17

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

0.75

Evaporation rate

ether=1

22

Enthalpy of vaporization

kJ mol

32.64

o

C

20

-1

Corrosivity

-

N

Molar volume

cm3 mol-1

98.2

Viscosity

mPas (cP)

1.81

Viscosity temperature

o

Surface tension at 20oC

mN m-1

27.7

Solubility in water at 20 C

mg kg

miscible

Heat of combustion at 25oC

MJ kg-1

o

C

20 -1

26.2

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Propanol, 2PARAMETER

UNIT

VALUE

Specific heat at 25oC

kJ K-1 mol-1

197.99

Coefficient of thermal expansion

10-4 oC-1 (K-1)

11.3

Hildebrand solubility parameter

(MPa)1/2

19.43

Hansen solubility parameters, (MPa)1/2

dD

15.6

dP

6.3

dH

11.6

Relative permittivity

-

12.30

Electrical conductivity

pS m-1

3.0E+07

Flammability

3

Health

1

HEALTH & SAFETY NFPA classification

HMIS classification

Reactivity

0

Flammability

3

Health

1

Reactivity

0

UN risk phrases, R

R10

US safety phrases, S

S24

UN number

-

UN/NA hazard class

3

UN packaging group

III

3092

DOT class

3, III

ICAO/IATA class, packaging group

UN 3092 1-METHOXY-2-PROPANOL, 3, III

IMDG class, packaging group

UN 3092 1-METHOXY-2-PROPANOL, 3, III

Proper shipping name

flammable liquid

Autoignition temperature

o

C

270

Flash point

o

C

32

Flash point method

-

CC

Explosion limit, lower

wt%

1.48

Explosion limit, upper

wt%

13.74

Maximum concentration, any time, ACGIH

ppm

100

Maximum concentration, any time, NIOSH

mg m-3

360

Maximum concentration, any time, NIOSH

ppm

100

Maximum concentration, 15 min., ACGIH

ppm

150

Maximum concentration, 15 min., NIOSH

mg m-3

540

Maximum concentration, 15 min., NIOSH

ppm

150

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

5,000

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Propanol, 2PARAMETER

UNIT

VALUE

Animal testing, acute toxicity, Mouse oral LD50

mg kg-1

10,800

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

15,000/4H

Ingestion

Ingestion may cause gastrointestinal irritation with nausea & vomiting.

Skin irritation

May cause skin irritation.

Eye irritation

May cause eye irritation.

Inhalation

Inhalation of high concentrations cause irritations of the respiratory tract.

ECOLOGICAL PROPERTIES Montreal protocol

-

N

Partition coefficient

logKow

-0.49

USE & PERFORMANCE Recommended for products

Paint, lacquer, varnish, surface coatings, cleaners, inks

Features & benefits

Highly soluble in water, low surface tension

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Propargyl alcohol PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Propargyl alcohol

CAS #

-

107-19-7

IUPAC name

prop-2-yn-1-ol

Common name

2-propyn-1-ol

Common synonyms

ethynyl carbinol; propinol

Empirical formula

-

C3H4O

Formula

HC

CCH2OH

Molecular mass

daltons

56.06

RTECS number

-

UK5075000

Chemical category

-

alcohol

Mixture

-

N

EC number

-

203-471-2

Product contents

prop-2-yn-1-ol >99.5 wt%, formaldehyde <0.5 wt%

PHYSICAL PROPERTIES State

-

L

Odor

-

characteristic

Color

-

colorless

Boiling point

o

C

114.0

Freezing point

o

C

-53.0

Refractive index at 20 C

-

o

1.4320

Specific gravity

-

0.949

Vapor density

air=1

1.93

Vapor pressure

kPa

1.58

Vapor pressure temperature

o

Corrosivity

-

N

Molar volume

cm3 mol-1

59.3

Viscosity

mPas (cP)

1.29

Viscosity temperature

o

C

20

C

25

Solubility in water at 20 C

mg kg

Heat of combustion at 25oC

MJ kg-1

Coefficient of thermal expansion

10

o

Hansen solubility parameters, (MPa)

1/2

-4 o

miscible

-1

31.02

C (K ) -1

-1

11.50

dD

16.1

dP

8.7

dH

18.8

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Propargyl alcohol PARAMETER

UNIT

VALUE

Flammability

3

Health

3

HEALTH & SAFETY NFPA classification

HMIS classification

Reactivity

0

Flammability

3

Health

3

Reactivity

0

UN risk phrases, R

R10,R23/24/25,R34,R51,R53

US safety phrases, S

S24,S26,S28,S36,S45,S61

UN number

-

UN/NA hazard class

6.1

2927

UN packaging group

II

DOT class

UN 2927 TOXIC LIQUID, FLAMMABLE, ORGANIC, N.O.S. (2-PROPYN-1-OL), 6.1 (3), II, hazard label 6.1, 8, EHSM

TDG class ICAO/IATA class, packaging group

UN 2927 TOXIC LIQUID, FLAMMABLE, ORGANIC, N.O.S. (2-PROPYN-1-OL), 6.1 (3), II, hazard label 6.1, 8, EHSM

IMDG class, packaging group

UN 2927 TOXIC LIQUID, FLAMMABLE, ORGANIC, N.O.S. (2-PROPYN-1-OL), 6.1 (3), II, hazard label 6.1, 8, EHSM

Proper shipping name

toxic liquid, flammable, organic, n.o.s. (2-propyn-1-ol)

Autoignition temperature

o

C

365

Flash point

o

C

33

Flash point method

-

CC

Explosion limit, lower

wt%

2.20

Explosion limit, upper

wt%

98.0

Threshold limiting value – TWA 8h, ACGIH

mg m

2.3

Threshold limiting value – TWA 8h, ACGIH

ppm

1

Threshold limiting value – TWA 8h, NIOSH

mg m-3

2

Threshold limiting value – TWA 8h, NIOSH

ppm

1

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

56.4(BASF-Test)

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

88

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

Route of entry

Ing, Skin, Subcutaneous

-3

-1

873/2H

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Propargyl alcohol PARAMETER

UNIT

VALUE

Ingestion

Poison by ingestion. Causes gastrointestinal tract burns.

Skin irritation

Causes skin burns. HARMFUL IF ABSORBED THROUGH SKIN.

Eye irritation

Causes eye burns. RISK OF SERIOUS DAMAGE TO EYES.

Inhalation

Toxic by inhalation.

First aid: eyes

Rinse immediately for at least 15 minutes with plenty of water. Immediate medical attention required.

First aid: skin

Wash affected areas with water while removing contaminated clothing. Immediate medical attention required.

First aid: inhalation

Remove the affected individual into fresh air and keep the person calm. Assist in breathing if necessary. Immediate medical attention required.

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

0.04

Chemical oxygen demand

g g-1

1.96

Theoretical oxygen demand

gg

2.00

Montreal protocol

-

N

Partition coefficient

logKow

-0.35

-1

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136

Tetrahydrofurfuryl alcohol PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Tetrahydrofurfuryl alcohol

CAS #

-

97-99-4

IUPAC name

oxolan-2-ylmethanol

Common name

2-hydroxymethyl oxolane

Common synonyms

tetrahydro-2-furancarbinol

Empirical formula

-

C5H10O2

Formula

CH2OH O

Molecular mass

daltons

102.15

RTECS number

-

LU2450000

Chemical category

-

alcohol

Mixture

-

N

EC number

-

202-625-6

Product contents

Tetrahydrofurfuryl alcohol 99 wt%

PHYSICAL PROPERTIES State

-

L

Odor

-

mild

Color

colorless to pale yellow

Boiling point

o

C

178.0

Freezing point

o

C

-80.00

Refractive index at 20 C o

-

1.4490

Specific gravity

-

Specific gravity temperature

o

Vapor density

air=1

3.52

Vapor pressure

kPa

0.1066

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

0.07

Corrosivity

-

N

Molar volume

cm3 mol-1

97.4

Viscosity

mPas (cP)

Viscosity temperature

o

Surface tension at 20oC

mN m-1

37.00

Solubility in water at 20 C

mg kg

infinite

Heat of combustion at 25oC

MJ kg-1

Specific heat at 25 C

kJ K mol

o

o

1.054

C

25

C

25

C

6.24 20

-1

-1

29.53 -1

181.17

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Tetrahydrofurfuryl alcohol PARAMETER

UNIT

VALUE

Hansen solubility parameters, (MPa)1/2

dD

17.8

dP

8.2

dH

12.9

Henry’s law constant

atm/m3-mol-1

4.09E-09

Relative permittivity

-

13.61

Flammability

1

Health

2

Reactivity

1

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R36

US safety phrases, S

S2,S39

UN/NA hazard class

not regulated

DOT class

not regulated

Autoignition temperature

o

C

Flash point

o

C

Flash point method

-

OC

Explosion limit, lower

wt%

1.50

Explosion limit, upper

wt%

9.70

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

1600

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

5000

Route of entry

Inh, Con, Ing

Ingestion

Harmful if swallowed.

Skin irritation

Irritating to skin.

Eye irritation

Causes serious eye irritation

Inhalation

May cause respiratory tract irritation.

First aid: eyes

Rinse cautiously with water for several minutes. Remove contact lenses, if present. If irritation persists, get medical attention.

First aid: skin

Wash with plenty of soap and water. If irritation persists, get medical attention.

First aid: inhalation

Remove to fresh air. Respiratory support. Call for prompt medical attention.

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

282 74

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

1.50

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Tetrahydrofurfuryl alcohol PARAMETER

UNIT

VALUE

Theoretical oxygen demand

g g-1

2.04

Bioconcentration factor

-

-0.50

Biodegradation probability

-

days-weeks

Hydroxyl rate constant

cm3 molecule-1 s-1

2.89E-11

Montreal protocol

-

N

Partition coefficient

logKow

-0.11

Urban ozone formation potential

C2H4=1

0.41

Soil absorption constant

-

-0.30

USE & PERFORMANCE Recommended for products

Solvent in lacquers, dyes, resins, pesticides, industrial cleaners, and stripping formulations.

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139

Undecanol, 1PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Undecanol, 1-

CAS #

-

112-42-5

IUPAC name

undecan-1-ol

Common name

undecyl alcohol

Common synonym

n-undecyl alcohol

Empirical formula

-

C11H24O

Formula

O

Molecular mass

daltons

172.312

RTECS number

-

YQ2730000

Chemical category

-

alcohol

Mixture

-

N

EC number

-

203-970-5

-

L

H

PHYSICAL PROPERTIES State Odor

-

citrus, mild

Color

-

colorless

Boiling point

o

C

Melting point

o

C

Refractive index at 20oC

-

1.43918

Specific gravity

-

0.83-0.835

Specific gravity temperature

o

Viscosity

mPas (cP)

Viscosity temperature

o

Solubility in water at 20 C o

243-245 16-19

C

20

C

mg kg

17.2 20

-1

insoluble

HEALTH & SAFETY NFPA classification

HMIS classification

UN risk phrases, R

Flammability

2

Health

1

Reactivity

0

Flammability

1

Health

1

Reactivity

0

R38

US safety phrases, S

S37

Flash point

o

Animal testing, acute toxicity, Rat oral LD50

mg kg

C

82-113 -1

3,000

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140

Undecanol, 1PARAMETER

UNIT

VALUE

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

>5,000

ECOLOGICAL PROPERTIES Aquatic toxicity Fathead minnow, 96-h LC50

mg l-1

1.04

Montreal protocol

-

N

Partition coefficient

logKow

4.72

USE & PERFORMANCE Recommended for products

functional fluid, intermediate, processing aid, flavoring agent, solvent

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141

Xylenol, 2,4PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Xylenol, 2,4-

CAS #

-

105-67-9

IUPAC name

2,4-dimethylphenol

Common name

2,4-dimethyl-phenol

Common synonym

2,4-DMP

Empirical formula

-

C8H10O

Formula

H O Molecular mass

daltons

122.17

RTECS number

-

ZE5600000

Chemical category

aromatic hydrocarbon

Mixture

-

N

EC number

-

203-321-6

Product contents

2,4-xylenol >95 wt%

PHYSICAL PROPERTIES State

-

S/L

Odor

-

aromatic

Color

-

colorless to amber

Boiling point

o

C

212

Freezing point

o

C

25

Refractive index at 20oC

-

1.5380

Specific gravity

1.011 C

25

Specific gravity temperature

o

Vapor pressure

kPa

Vapor pressure temperature

o

Acceptor number

-

Corrosivity

-

Molar volume

cm mol

Coefficients of Antoine equation

coefficient A

4.19167

coefficient B

1595.54

0.008

C

20 44.8 N 3

-1

125.7

coefficient C

-102.913

K

417.5 to 485.5

Viscosity

mPas (cP)

68.5

Viscosity temperature

o

Temperature range of Antoine equation

C

25

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Xylenol, 2,4PARAMETER

UNIT

Heat of combustion at 25oC

MJ kg-1

38.60

Coefficient of thermal expansion

10-4 oC-1 (K-1)

7.14

Hildebrand solubility parameter

(MPa)1/2

22.58

Hansen solubility parameters, (MPa)1/2

dD

18.9

dP

5.4

Relative permittivity

VALUE

dH

10.3

-

3.9

Flammability

1

Health

2

Reactivity

0

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R24/25,R34,R51,R53

US safety phrases, S

S1/2,S26,S36/37/39,S45,S61

UN number

-

2261, 3082, 3430

UN/NA hazard class

6.1

UN packaging group

II

DOT class

UN 2261 XYLENOLS, SOLID, 6.1, II

ICAO/IATA class, packaging group

UN 3430 XYLENOLS, LIQUID, 6.1, II

IMDG class, packaging group

UN 3430 XYLENOLS, LIQUID, 6.1, II

Proper shipping name

xylenols, liquid, toxic material

Autoignition temperature

o

C

600

Flash point

o

C

112

Explosion limit, lower

wt%

1.1

Explosion limit, upper

wt%

Animal testing, acute toxicity, Rat oral LD50

6.4 -1

mg kg

3,200

Animal testing, acute toxicity, Mouse oral LD50

mg kg

-1

809

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

1,040

Route of entry

Inh, Ing, Con

Ingestion

Toxic by ingestion. Causes gastrointestinal tract burns.

Skin irritation

Causes skin burns.

Eye irritation

Causes eye burns.

Inhalation

Inhalation causes respiratory tract irritation with effect of burning sensation, cough.

First aid: eyes

Rinse thoroughly with plenty of water for at least 15 minutes. GET MEDICAL ATTENTION.

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Xylenol, 2,4PARAMETER

UNIT

VALUE

First aid: skin

Wash off with plenty of water. Take off all contaminated clothing immediately. If skin irritation persists, call physician.

First aid: inhalation

Move person into fresh air. If not breathing, give artificial respiration. Consult a physician.

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Aquatic toxicity, Bluegill sunfish, 96-h LC50

mg l-1

7.75

Aquatic toxicity Fathead minnow, 96-h LC50

mg l

17

Montreal protocol

-

N

Partition coefficient

logKow

2.30

-1

USE & PERFORMANCE Recommended for products

adhesives, sealants, cleaning, furnishing care, paints, coatings

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Xylenol, 2,6PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Xylenol, 2,6-

CAS #

-

576-26-1

IUPAC name

2,6-dimethylphenol

Common name

2,6-dimethylphenol

Common synonym

phenol, 2,6-dimethyl-

Empirical formula

-

C8H10O

Formula

O H Molecular mass

daltons

122.167

EC number

-

209-400-1

-

S

PHYSICAL PROPERTIES State Odor

-

sweet, tarry

Odor threshold

ppm

0.47

Color

colorless to off-white

Boiling point

o

C

203

Freezing point

o

C

45-49

Refractive index at 60 C o

-

1.5171

Specific gravity

-

Specific gravity temperature

o

1.01

Acid dissociation constant

-

10.59

Solubility in water at 25oC

mg kg-1

6050

UN number

-

2261

Flash point

o

Flash point method

-

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

296

Animal testing, acute toxicity, Mouse oral LD50

mg kg

450

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

1,000

Aquatic toxicity, Daphnia magna, 48-h LC50

mg l-1

11.2

Aquatic toxicity Fathead minnow, 96-h LC50

mg l

27

Montreal protocol

-

C

20

HEALTH & SAFETY C

73 CC -1

ECOLOGICAL PROPERTIES -1

N

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145

Xylenol, 2,6PARAMETER

UNIT

VALUE

Partition coefficient

logKow

2.36

Manufacturer

-

Capot Chemical

Recommended for products

adhesives, sealants, plating agents, cleaning, furnishing care

USE & PERFORMANCE

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146

Xylenol, 3,4PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Xylenol, 3,4-

CAS #

-

95-65-8

IUPAC name

3,4-dimethylphenol

Common name

3,4-dimethylphenol

Common synonym

1,3,4-xylenol

Acronym

-

DMP

Empirical formula

-

C8H10O

Formula

H O Molecular mass

daltons

122.167

RTECS number

-

ZE6300000

Chemical category

-

alcohol

EC number

-

202-439-5

Product contents

98 wt%

PHYSICAL PROPERTIES State

-

S

Odor threshold

ppm

1.2

Color

-

colorless

Boiling point

o

C

225

Melting point

o

C

62-68

Refractive index at 60 C

-

Specific gravity

-

Enthalpy of vaporization

kJ mol

Enthalpy of vaporization temperature

K

459

Acid dissociation constant

-

10.36

Coefficients of Antoine equation

coefficient A

4.17211

o

1.5268 1.138 -1

54.9

coefficient B

1598.887

coefficient C

-116.356

Temperature range of Antoine equation

K

445.08 - 502.1

Solubility in water at 25oC

mg kg-1

4760

Flammability

2

Health

3

Reactivity

0

HEALTH & SAFETY NFPA classification

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147

Xylenol, 3,4PARAMETER

UNIT

UN risk phrases, R

R24/25-34-51/53

US safety phrases, S

S26-36/37/39-45-61

VALUE

UN number

-

UN/NA hazard class

6.1 II

2261

Flash point

o

Explosion limit, lower

wt%

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

727

Animal testing, acute toxicity, Mouse oral LD50

mg kg

400

Ingestion

Harmful if swallowed. Causes gastrointestinal tract burns.

Skin irritation

Harmful if absorbed through the skin. Causes skin burns.

Eye irritation

Causes eye burns.

Inhalation

Causes chemical burns to the respiratory tract.

First aid: eyes

In case of contact, immediately flush eyes with plenty of water for at least 15 minutes. Get medical aid immediately.

First aid: skin

In case of contact, immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Get medical aid immediately. Wash clothing before reuse.

First aid: inhalation

If inhaled, remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.

Chronic effects

May cause kidney injury. Chronic exposure may cause effects similar to those of acute exposure.

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

C

61-95 1.4 -1

ECOLOGICAL PROPERTIES Aquatic toxicity Fathead minnow, 24-h LC50

mg l-1

20

Bioconcentration factor

-

29

Montreal protocol

-

N

Partition coefficient

logKow

2.23

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Xylenol, 3,4PARAMETER

UNIT

VALUE

USE & PERFORMANCE Recommended for products

adhesives, sealants, plating agents, cleaning, degreasing, solvent which become part of of product, paints, coatings

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3.3 Aldehydes Benzaldehyde PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Benzaldehyde

CAS #

-

100-52-7

IUPAC name

benzaldehyde

Common name

artificial almond oil

Common synonym

benzenecarbanal

Empirical formula

-

C7H6O

Formula

H O

Molecular mass

daltons

106.1

RTECS number

-

CU4375000

Chemical category

-

aldehyde

Mixture

-

N

EC number

-

202-860-4

State

-

L

Odor

-

almond

Color

clear, colorless tp pale yellow

Boiling point

o

C

179

Freezing point

o

C

-26

PHYSICAL PROPERTIES

Refractive index at 20 C

-

1.544

Specific gravity

-

1.05

Specific gravity temperature

o

Vapor density

air=1

3.65

Vapor pressure

kPa

0.127

Vapor pressure temperature

o

Enthalpy of vaporization

kJ mol-1

50.30

Enthalpy of vaporization temperature

K

311

Acceptor number

-

12.8

Donor number

kcal mol-1

16.0

Corrosivity

-

N

Molar volume

cm mol

Coefficients of Antoine equation

coefficient A

3.87652

coefficient B

1380.729

o

Temperature range of Antoine equation

C

25

C

25

3

-1

101.9

coefficient C

-94.98

K

299.3 to 452.0

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3.3 Aldehydes Benzaldehyde PARAMETER

UNIT

Viscosity

mPas (cP)

Viscosity temperature

o

Surface tension at 20oC

mN m-1

38

Solubility in water at 20oC

mg kg-1

6500

Heat of combustion at 25 C

MJ kg

Coefficient of thermal expansion

10

Hildebrand solubility parameter

(MPa)1/2

18.76

dD

19.4

dP

7.4

o

Hansen solubility parameters, (MPa)

1/2

VALUE 1.32

C

25

-4 o

35.72

-1

C (K ) -1

-1

dH

8.2

5.3

Henry’s law constant

atm/m -mol

Relative permittivity

-

17.80

Flammability

0

Health

2

Reactivity

0

Flammability

0

Health

2

Reactivity

0

3

-1

2.49E-05

HEALTH & SAFETY NFPA classification

HMIS classification

UN risk phrases, R

R22

US safety phrases, S

S2,S24

UN number

-

1990

UN/NA hazard class

9

UN packaging group

III

DOT class

UN 1990 BENZALDEHYDE, 9, III

ICAO/IATA class, packaging group

UN 1990 BENZALDEHYDE, 9, III

IMDG class, packaging group

UN 1990 BENZALDEHYDE, 9, III

Proper shipping name

benzaldehyde

Autoignition temperature

o

C

190

Flash point

o

C

62

Explosion limit, lower

wt%

1.4

Explosion limit, upper

wt%

13.5

Threshold limiting value – TWA 8h, OSHA

ppm

5

Animal testing, acute toxicity, Rat oral LD50

mg kg

1,300-1,430

Animal testing, acute toxicity, Mouse oral LD50

mg kg-1

9-28

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

>1250

-1

-1

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3.3 Aldehydes Benzaldehyde PARAMETER

UNIT

VALUE

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

1.0-5 mg/L/4 hr

Ingestion

Large doses may cause seizures

Skin irritation

May cause allergic reactions and contact dermatitis, it is also a strong sensitizer

Eye irritation

Mild eye irritant

Inhalation

May be a respiratory irritant and cause respiratory failure in high doses

First aid: eyes

Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids

First aid: skin

Remove contaminated clothing and wash exposed area thoroughly with soap and water

First aid: inhalation

Move person to fresh air. If cough or difficulty breathing develops administer oxygen and assist ventilation

Target organs

RspSys,Skin,Kdny, Lvr

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

1.20

Biological oxygen demand, 20 days

gg

-1

1.68

Theoretical oxygen demand

g g-1

2.42

Aquatic toxicity, Bluegill sunfish, 96-h LC50

mg l

-1

1.43

Aquatic toxicity, Daphnia magna, 24-h LC50

mg l

-1

50

Aquatic toxicity Fathead minnow, 96-h LC50

mg l-1

7.6

Aquatic toxicity, Rainbow trout, 24-h LC50

mg l

15.8/

Biodegradation probability

readily biodegradable

Montreal protocol

-

N

Partition coefficient

logKow

1.48

Manufacturer

-

Femaflavor, Xilong

Recommended for products

pesticides, paints, cleaning products, cosmetics, food, perfumes, pharmaceuticals

-1

USE & PERFORMANCE

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Butyraldehyde PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Butyraldehyde

CAS #

-

123-72-8

IUPAC name

butanal

Common name

butal

Empirical formula

-

C4H8O

Formula

CH3(CH2)2CH O

Molecular mass

daltons

72.1

RTECS number

-

ES2275000

Chemical category

-

aldehyde

Mixture

-

N

EC number

-

204-646-6

State

-

L

Odor

-

pungent

Color

-

colorless

Boiling point

o

C

Freezing point

o

C

Refractive index at 20oC

-

1.3770

Specific gravity

-

0.800

Specific gravity temperature

o

Vapor density

air=1

2.50

Vapor pressure

kPa

12.2

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

7.80

Enthalpy of vaporization

kJ mol-1

33.70

Corrosivity

-

N

Molar volume

cm3 mol-1

90.5

Coefficients of Antoine equation

coefficient A

3.59112

coefficient B

952.851

coefficient C

-82.569

Temperature range of Antoine equation

K

303.9 to 347.2

Viscosity

mPas (cP)

0.43

Viscosity temperature

o

Surface tension at 20 C

mN m

PHYSICAL PROPERTIES

o

75.0 -97.00

C

25

C

20

C

25 -1

29.90

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Butyraldehyde PARAMETER

UNIT

VALUE

Solubility in water at 20oC

mg kg-1

70000

Heat of combustion at 25 C

MJ kg-1

Coefficient of thermal expansion

10

Hildebrand solubility parameter

(MPa)1/2

18.06

dD

15.6

dP

10.1

o

Hansen solubility parameters, (MPa)

1/2

-4 o

33.53

C (K ) -1

-1

dH

13.80

6.2

Henry’s law constant

atm/m -mol

Relative permittivity

-

13.40

Flammability

3

Health

3

Reactivity

0

Flammability

3

Health

3

Reactivity

0

3

-1

1.18E-04

HEALTH & SAFETY NFPA classification

HMIS classification

UN risk phrases, R

R11

US safety phrases, S

S2,S9,S29,S33

UN number

-

UN/NA hazard class

3

UN packaging group

II

DOT class

UN 1129 Butyraldehyde, 3, II

ICAO/IATA class, packaging group

UN 1129 BUTYRALDEHYDE, 3, II

IMDG class, packaging group

UN 1129 BUTYRALDEHYDE, 3, II

Proper shipping name

flammable liquid, n.s.o. (butyraldehyde)

Autoignition temperature

o

C

199

Flash point

o

C

-12.0

Flash point method

-

SCC

Explosion limit, lower

wt%

2.50

Explosion limit, upper

wt%

12.50

Threshold limiting value – TWA 8h, OSHA

ppm

1129

1

Animal testing, acute toxicity, Rat oral LD50

-1

mg kg

2490

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

3560

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

8000/4H

Ingestion

May be harmful if swallowed

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Butyraldehyde PARAMETER

UNIT

VALUE

Skin irritation

Very hazardous in case of skin contact (irritant, permeator)

Eye irritation

Causes eye irritation

Inhalation

Hazardous in case of inhalation

Target organs

Blood,Lvr,RspSys

Carcinogenicity IARC

P

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

1.11

Biological oxygen demand, 20 days

g g-1

1.61

Chemical oxygen demand

gg

-1

2.44

Theoretical oxygen demand

g g-1

2.44

Montreal protocol

-

N

Partition coefficient

logKow

0.82

USE & PERFORMANCE Recommended for products

intermediate for the chemical industry, the manufacture of pharmaceuticals, crop protection products, pesticides, synthetic resins

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155

Cinnamaldehyde PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Cinnamaldehyde

CAS #

-

104-55-2

IUPAC name

3-phenylprop-2-enal

Common name

3-phenyl-2-propenal

Empirical formula

-

C9H8O

Formula

O Molecular mass

daltons

132.1

RTECS number

-

GD6475000

Chemical category

-

aldehyde

Mixture

-

N

EC number

-

203-213-9

-

L

PHYSICAL PROPERTIES State Odor

-

cinnamon

Color

-

yellow

Boiling point

o

C

Freezing point

o

C

Refractive index at 20oC

-

1.6200

Specific gravity

-

1.049

Vapor density

air=1

4.60

Vapor pressure

kPa

0.01

Vapor pressure temperature

o

Molar volume

cm mol

Coefficients of Antoine equation

coefficient A

Temperature range of Antoine equation

253.0 -7.00

C

20 3

-1

126.9 5.45068

coefficient B

2676.568

coefficient C

-27.816

K

349.2 to 519.0

Viscosity

mPas (cP)

Viscosity temperature

o

Heat of combustion at 25oC

MJ kg-1

Hildebrand solubility parameter

(MPa)

Hansen solubility parameters, (MPa)1/2

dD

18.8

dP

9.2

dH

6.1

C

5.4 25

1/2

37.46 23.67

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156

Cinnamaldehyde PARAMETER

UNIT

VALUE

Relative permittivity

-

16.90

HEALTH & SAFETY US safety phrases, S

S24/25;S37/39

Flash point

o

Flash point method

-

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

2220

Animal testing, acute toxicity, Mouse oral LD50

mg kg

-1

2225

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

2200

C

120 CC

Route of entry

Skin, Eye, ResSys

Ingestion

Irritating to mouth, throat and stomach.

Skin irritation

Irritating skin

Eye irritation

Irritating to eye, redness and pain

Inhalation

Irritating to respiratory system

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Montreal protocol

-

N

Partition coefficient

logKow

1.90

USE & PERFORMANCE Manufacturer

DSM, Haarman & Reimer GmbH, Rhodia Chimie

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157

Crotonaldehyde PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Crotonaldehyde

CAS #

-

4170-30-3

IUPAC name

but-2-enal

Common name

propylene aldehyde

Common synonyms

2-butenal; methyl propenal

Empirical formula

-

C4H6O

Formula

O

Molecular mass

daltons

70.1

RTECS number

-

GP9499000

Chemical category

-

aldehyde

Mixture

-

N

EC number

-

224-030-0

State

-

L

Odor

-

pungent

Odor threshold

ppm

21.0

Color

-

colorless

Boiling point

o

C

102.0

Freezing point

o

C

-76.50

PHYSICAL PROPERTIES

Refractive index at 20 C

-

o

1.4360

Specific gravity

-

Specific gravity temperature

o

0.850

Vapor density

air=1

2.41

Vapor pressure

kPa

2.53

Vapor pressure temperature

o

Enthalpy of vaporization

kJ mol

C

20

C

20 -1

37.30

Corrosivity

-

N

Molar volume

cm3 mol-1

80.5

Viscosity

mPas (cP)

0.428

Viscosity temperature

o

Solubility in water at 20oC

mg kg-1

C

25 150000

Heat of combustion at 25 C

MJ kg

-1

32.39

Coefficient of thermal expansion

10-4 oC-1 (K-1)

13.10

o

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158

Crotonaldehyde PARAMETER

UNIT

VALUE

Hansen solubility parameters, (MPa)1/2

dD

16.1

dP

12.2

Henry’s law constant

dH

8.1

atm/m3-mol-1

1.68E-05

Flammability

3

Health

4

Reactivity

2

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R11,R24/25,R26,R37/38,R41,R48/22,R 50,R68

US safety phrases, S

S1/2,S26,S28,S36/37/39,S45,S61

UN number

-

UN/NA hazard class

6.1 (3)

1143

UN packaging group

I

ICAO/IATA class, packaging group

forbidden

IMDG class, packaging group

UN 1143 CROTONALDEHYDE, STABILIZED, 6.1 (3), I, Marine Pollutant: P

Proper shipping name

crotonaldehyde, stabilized

Autoignition temperature

o

C

232

Flash point

o

C

13.0

Flash point method

-

OC

Explosion limit, lower

wt%

2.10

Explosion limit, upper

wt%

15.50

Threshold limiting value – TWA 8h, ACGIH

mg m

5.7

Threshold limiting value – TWA 8h, ACGIH

ppm

2

Maximum exposure concentration NIOSH-IDLH

ppm

50

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

206

Ingestion

Harmful if swallowed

Skin irritation

Causes skin irritation

Eye irritation

Causes eye irritation

Inhalation

Causes respiratory tract irritation

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

-3

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

0.51

Chemical oxygen demand

gg

-1

1.33

Theoretical oxygen demand

gg

-1

1.37

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159

Crotonaldehyde PARAMETER

UNIT

VALUE

Montreal protocol

-

N

Partition coefficient

logKow

0.60

USE & PERFORMANCE Manufacturer

Celanese GmbH, Hoechst AG

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

160

Ethylhexaldehyde PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Ethylhexaldehyde

CAS #

-

123-05-7

IUPAC name

2-ethylhexanal

Common name

2-ethylcaproaldehyde

Common synonyms

butyl ethyl acetaldehyde

Acronym

-

2ETHXALD

Empirical formula

-

C8H16O

Formula

CH3(CH2)3CHCHO CH2CH3

Molecular mass

daltons

128.24

RTECS number

-

MN7525000

Chemical category

-

aldehyde

Mixture

-

N

EC number

-

204-596-5

Product contents

ethylhexaldehyde >99 wt%

PHYSICAL PROPERTIES State

-

L

Odor

-

characteristic

Color

-

colorless

Boiling point

o

C

159.6

Freezing point

o

C

-85.0

Refractive index at 20 C

-

1.4150

Specific gravity

-

0.882

Specific gravity temperature

o

Vapor density

air=1

4.50

Vapor pressure

kPa

0.2

Vapor pressure temperature

o

C

20

Molar volume

cm3 mol-1

155.4

Viscosity

mPas (cP)

1.093

Viscosity temperature

o

Solubility in water at 20oC

mg kg-1

Heat of combustion at 25 C

MJ kg

Coefficient of thermal expansion

10

o

o

C

20

C

25

-4 o

700 39.26

-1

C (K ) -1

-1

10.60

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161

Ethylhexaldehyde PARAMETER

UNIT

VALUE

Hansen solubility parameters, (MPa)1/2

dD

15.9

dP

6.3

dH

4.5

Flammability

2

Health

2

Reactivity

1

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R10,R38

UN number

-

UN/NA hazard class

3

UN packaging group

III

DOT class

UN 1191 octyl aldehydes, combustible liquid, 3, III

Proper shipping name

octyl aldehydes, combustible liquid

ICAO/IATA class, packaging group

UN 1191 OCTYL ALDEHYDES, 3, III

IMDG class, packaging group

UN 1191 OCTYL ALDEHYDES, 3, III

Autoignition temperature

o

C

Flash point

o

C

Flash point method

-

CC

Explosion limit, lower

wt%

0.85

Explosion limit, upper

wt%

7.20

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

3730

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

5040

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

4000/4H

1191

190 44

Route of entry

Ing, Interperitaneal, Inh, Skin

Ingestion

May be harmful if swallowed

Skin irritation

May cause an allergic skin reaction

Eye irritation

Causes eye irritation

First aid: eyes

Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the eyelids. Get medical aid

First aid: skin

Flush skin with plenty of soap and water for at least 15 min, seek medical advice

First aid: inhalation

Remove from exposure to fresh air immediately, If not breathing, give artificial respiration.Get medical aid

Carcinogenicity IARC

N

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Ethylhexaldehyde PARAMETER

UNIT

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

VALUE

ECOLOGICAL PROPERTIES Biodegradation probability

readily biodegradable

Montreal protocol

-

N

Partition coefficient

logKow

2.71

USE & PERFORMANCE Recommended for products

Disinfectants, pharmaceuticals and odorous substances

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Formaldehyde PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Formaldehyde

CAS #

-

50-00-0

IUPAC name

formaldehyde

Common name

oxymethylene

Common synonyms

methylene oxide, methanal

Empirical formula

-

CH2O

Formula

H2 C

O

Molecular mass

daltons

30.03

RTECS number

-

LP8925000

Chemical category

-

aldehyde

Mixture

-

N

EC number

-

200-001-8

PHYSICAL PROPERTIES State

-

G

Odor

-

pungent

Odor threshold

ppm

0.830

Color

-

colorless

Boiling point

o

C

-19

Freezing point

o

C

-92

Refractive index at 20 C

-

1.3760

Specific gravity

-

0.840

Specific gravity temperature

o

Vapor density

air=1

1.00

Vapor pressure

kPa

437.87

Vapor pressure temperature

o

Enthalpy of vaporization

kJ mol-1

23.30

Enthalpy of vaporization temperature

K

bp

Corrosivity

-

N

Molar volume

cm3 mol-1

36.9

Coefficients of Antoine equation

coefficient A

4.28176

o

C

20

C

20

coefficient B

959.43

coefficient C

-29.758

Temperature range of Antoine equation

K

163.8 to 250.9

Solubility in water at 20 C

mg kg

Coefficient of thermal expansion

10-4 oC-1 (K-1)

o

-1

400,000 26.87

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164

Formaldehyde PARAMETER

UNIT

Hildebrand solubility parameter Hansen solubility parameters, (MPa)

1/2

VALUE

(MPa)1/2

23.93

dD

12.8

dP

14.4

dH Henry’s law constant

15.4

atm/m -mol 3

-1

3.36E-07

HEALTH & SAFETY NFPA classification

Flammability

4

Health

2

Reactivity

0

UN risk phrases, R

R40,R23/24/25,R34,R43

US safety phrases, S

S1/2,S26,S36/37/39,S45,S51

UN number

-

UN/NA hazard class

9

Autoignition temperature

o

C

Flash point

o

C

Flash point method

-

CC

Explosion limit, lower

wt%

7.0

Explosion limit, upper

wt%

73.0

Threshold limiting value – TWA 8h, ACGIH

ppm

Threshold limiting value – TWA 8h, NIOSH

mg m

0.019

Threshold limiting value – TWA 8h, NIOSH

ppm

0.016

Threshold limiting value – TWA 8h, OSHA

mg m-3

Maximum exposure concentration NIOSH-IDLH

mg m

Maximum exposure concentration NIOSH-IDLH

ppm

20

Maximum concentration, any time, ACGIH

mg m-3

37

Maximum concentration, any time, ACGIH

ppm

0.3

Maximum concentration, any time, NIOSH

ppm

Maximum concentration, 15 min., OSHA

mg m

Maximum concentration, 15 min., OSHA

ppm

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

100

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

270

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

1198/2209 430 85.0

0.3 -3

-3

1.25 37

0.1 -3

2.5 2

-1

250/4H

Route of entry

Inh, Ing, Con

Ingestion

Toxic if swallowed

Skin irritation

Corrosive! Damages skin. May cause an allergic skin reaction

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Formaldehyde PARAMETER

UNIT

VALUE

Eye irritation

Corrosive! Damages eyes

Inhalation

Causes temporary irritation of the respiratory tract

Target organs

RspSys,Eye,Skin

Carcinogenicity IARC

2A

Carcinogenicity NTP

P

Carcinogenicity OSHA

Z

Mutagenic properties

Y

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

0.74

Biological oxygen demand, 20 days

g g-1

1.22

Chemical oxygen demand

gg

-1

1.07

Theoretical oxygen demand

g g-1

1.07

Bioconcentration factor

-

0.04

Biodegradation probability

-

days

Hydroxyl rate constant

cm3 molecule-1 s-1

9.70E-12

Montreal protocol

-

N

Partition coefficient

logKow

0.35

Urban ozone formation potential

C2H4=1

1.23

Soil absorption constant

-

1.57

UV absorption

nm

<290

USE & PERFORMANCE Manufacturer

BASF AG, Mallinckrodt Baker Inc/ Avantor Performance Materials

Recommended for products

industrial products and consumer articles. More than 50 branches of industry are now using formaldehyde: the glue products, inks, car components, textiles

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Furfural PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Furfural

CAS #

-

98-01-1

IUPAC name

furan-2-carbaldehyde

Common name

fural

Common synonyms

2-furanaldehyde; 2-furylmethanol

Empirical formula

-

C5H4O2

Formula

O CHO

Molecular mass

daltons

96.09

RTECS number

-

LT7000000

Chemical category

-

aldehyde

Mixture

-

N

EC number

-

202-627-7

Product contents

furfural 99%

PHYSICAL PROPERTIES State

-

L

Odor

-

almond-like

Odor threshold

ppm

0.078

Color

-

colorless to amber

Boiling point

o

C

162.0

Freezing point

o

C

-37.00

Refractive index at 20 C o

-

1.5230

Specific gravity

-

Specific gravity temperature

o

1.155

Vapor density

air=1

3.30

Vapor pressure

kPa

0.1

Vapor pressure temperature

o

C

25

C

20 44.70

Enthalpy of vaporization

kJ mol

Enthalpy of vaporization temperature

K

Corrosivity

-

Molar volume

cm mol

Coefficients of Antoine equation

coefficient A

4.09355

coefficient B

1430.133

Temperature range of Antoine equation

-1

bp Y 3

-1

83.2

coefficient C

-84.449

K

329.0 to 433.9

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Furfural PARAMETER

UNIT

Viscosity

mPas (cP)

Viscosity temperature

o

Surface tension at 20oC

mN m-1

41.10

Solubility in water at 20oC

mg kg-1

79000

Heat of combustion at 25 C

MJ kg

Specific heat at 25 C

kJ K mol

Coefficient of thermal expansion

10-4 oC-1 (K-1)

9.02

Hildebrand solubility parameter

(MPa)1/2

22.91

dD

18.6

dP

14.9

o

o

Hansen solubility parameters, (MPa)

VALUE 25

25.51

-1

-1

1/2

1.49

C

157.74

-1

dH

5.1

Henry’s law constant

atm/m -mol

Relative permittivity

-

38.00

Flammability

2

Health

2

Reactivity

0

3

-1

1.34E-05

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R40,R23/25,R21,R36/37

US safety phrases, S

S1/2,S26,S36/37/39,S45

UN number

-

1199

UN/NA hazard class

6.1 (3)

UN packaging group

II

DOT class

6.1, II

ICAO/IATA class, packaging group

UN 1199 FURALDEHYDES, 6.1 (3), II

IMDG class, packaging group

UN 1199 FURALDEHYDES, 6.1 (3), II

Proper shipping name

furaldehydes

Autoignition temperature

o

C

315

Flash point

o

C

60

Flash point method

-

CC

Explosion limit, lower

wt%

2.10

Explosion limit, upper

wt%

19.30

Threshold limiting value – TWA 8h, ACGIH

mg m

7.9

Threshold limiting value – TWA 8h, ACGIH

ppm

2

Threshold limiting value – TWA 8h, OSHA

mg m-3

20

Threshold limiting value – TWA 8h, OSHA

ppm

5

Maximum exposure concentration NIOSH-IDLH

mg m-3

997

Maximum exposure concentration NIOSH-IDLH

ppm

250

-3

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Furfural PARAMETER

UNIT

VALUE

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

65

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

620

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

153/4H

Route of entry

Inh, Abs, Ing, Con

Ingestion

Harmful if swallowed

Skin irritation

Causes skin irritation

Eye irritation

Causes serious eye irritation

Inhalation

Fatal if inhaled

First aid: eyes

In case of contact with eyes, rinse immediately with plenty of water and seek medical advice

First aid: skin

Wash with plenty of soap and water

First aid: inhalation

IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing. Immediately call a POISON CENTER

Target organs

Eye,RspSys,Skin,Lvr

Carcinogenicity IARC

N

Carcinogenicity NTP

Y

Carcinogenicity OSHA

N

Mutagenic properties

Y

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

0.77

Theoretical oxygen demand

gg

1.67

-1

Bioconcentration factor

-

0.08

Biodegradation probability

-

days-weeks

Hydroxyl rate constant

cm3 molecule-1 s-1

3.65E-11

Montreal protocol

-

N

Partition coefficient

logKow

0.41

Urban ozone formation potential

C2H4=1

0.94

Soil absorption constant

-

1.25

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Glutaraldehyde PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Glutaraldehyde

CAS #

-

111-30-8

IUPAC name

1,5-pentanedial

Common name

1,5-pentanedial

Common synonyms

glutaral

Empirical formula

-

C5H8O2

Formula

OHC(CH2)3CHO

Molecular mass

daltons

100.12

RTECS number

-

MA2450000

Chemical category

-

aldehyde

Mixture

-

N

EC number

-

203-856-5

Product contents

glutaraldehyde, 50% solution in water

PHYSICAL PROPERTIES State

-

L

Color

clear, colorless to yellow

Boiling point

o

C

101.5

Freezing point

o

C

-33.0 (50% sol.)

Specific gravity

-

Specific gravity temperature

o

1.130

Vapor density

air=1

3.50

Vapor pressure

kPa

0.00203

Vapor pressure temperature

o

Molar volume

cm3 mol-1

98.9

pH

-

3.7 (50% sol.)

Viscosity

mPas (cP)

20

Viscosity temperature

o

C

20

C

20

C

50

Solubility in water at 20 C

mg kg

Heat of combustion at 25oC

MJ kg-1

27.42

dD

16.6

dP

18.0

dH

8.4

Flammability

0

Health

3

o

Hansen solubility parameters, (MPa)

1/2

-1

miscible

HEALTH & SAFETY NFPA classification

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Glutaraldehyde PARAMETER

UNIT

VALUE

UN risk phrases, R

R23/25,R34,R42/43,R50,R37/38,R22, R23,R20/22,R41

US safety phrases, S

S26,S36/37/39,S45,S61

UN number

-

UN/NA hazard class

6.1

UN packaging group

III

Proper shipping name

toxic liquid, organic, n.o.s.

Autoignition temperature

o

C

Flash point

o

C

Flash point method

-

CC

Explosion limit, lower

wt%

1.5 (calculated)

Explosion limit, upper

wt%

50 (calculated)

Threshold limiting value – TWA 8h, ACGIH

ppm

0.2

Threshold limiting value – TWA 8h, OSHA

ppm

2810

395 95

0.2

Maximum concentration, any time, ACGIH

mg m

0.8

Maximum concentration, any time, ACGIH

ppm

0.2

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

134

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

2560

-3

Route of entry

Ing, Intravenous, Intraperitoneal

Ingestion

Moderate toxicity if swallowed

Skin irritation

Brief contact may cause skin burns

Eye irritation

May cause severe irritation with corneal injury

Inhalation

Vapor may cause severe irritation of the upper respiratory tract

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Biodegradation probability

readily biodegradable

Hydroxyl rate constant

cm3 molecule-1 s-1

2.38E-11

Montreal protocol

-

N

Partition coefficient

logKow

-0.18

USE & PERFORMANCE Manufacturer

Acros Organics, BAS AG, Dow, Fisher Scientific

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171

Glutaraldehyde PARAMETER

UNIT

VALUE

Recommended for products

sanitizing animal housing buildings and equipment, metalworking fluids, medical and dental – to disinfect equipment

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172

Glyoxal PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Glyoxal

CAS #

-

107-22-2

IUPAC name

oxalaldehyde

Common name

1,2-ethanedione

Common synonym

biformal

Empirical formula

-

C2H2O2

Formula

H O

O H

Molecular mass

daltons

58.04

RTECS number

-

MD2625000

Chemical category

-

aldehyde

Mixture

-

N

EC number

-

203-474-9

Product contents

most frequently available in 40% aqueous solutions

PHYSICAL PROPERTIES State

-

L

Odor

-

mild

Color

-

light yellow

Boiling point

o

C

104

Freezing point

o

C

-14

Refractive index at 20 C o

-

1.3826

Specific gravity

-

Specific gravity temperature

o

1.27

Vapor density

air=1

2.0

Vapor pressure

kPa

1.8

Vapor pressure temperature

o

Molar volume

cm mol

C

20

C

20 3

51.4

-1

Solubility in water at 20 C

mg kg

Hansen solubility parameters, (MPa)1/2

dD

15.0

dP

17.0

o

infinite

-1

dH Henry’s law constant

13.3

atm/m -mol 3

-1

3.33E-09

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Glyoxal PARAMETER

UNIT

VALUE

HEALTH & SAFETY UN risk phrases, R

R20,R36/38,R43,R68

US safety phrases, S

S2,S36/37

UN/NA hazard class

not regulated

UN packaging group

not regulated

DOT class

not regulated

ICAO/IATA class, packaging group

not regulated

IMDG class, packaging group

not regulated

Autoignition temperature

o

Threshold limiting value – TWA 8h, ACGIH

mg m-3

0.1

Maximum concentration, any time, ACGIH

mg m-3

0.5

Maximum concentration, 15 min., ACGIH

mg m

0.3

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

7,070

Animal testing, acute toxicity, Mouse oral LD50

mg kg

-1

4,064

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

-1

10,000

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

Skin irritation

Causes skin irritation. May cause sensitization by skin contact.

Eye irritation

Causes eye irritation.

Inhalation

Harmful by inhalation.

ECOLOGICAL PROPERTIES Aquatic toxicity, Daphnia magna, 48-h LC50 Aquatic toxicity Fathead minnow, 96-h LC50

mg l-1

161

mg l-1

86-215

Bioconcentration factor

-

3.0

Atmospheric half-life

h

34.0

Hydroxyl rate constant

cm3 molecule-1 s-1

1.14E-11

Partition coefficient

logKow

-1.65

UV absorption

nm

>290

C

285

-3

2,410/4H

USE & PERFORMANCE Potential substitute for

formaldehyde (embalming fluids)

Recommended for polymers

polyacrylamide, polyvinyl alcohols, cellulose

Recommended for products

intermediate, disinfectant, textiles, paper, adhesives, coatings, H2S scavenger in crude oil and gas industry, cleaning agent, photographic industry, leather tanning, polymer solubilizer and crosslinker

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Isobutyraldehyde PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Isobutyraldehyde

CAS #

-

78-84-2

IUPAC name

2-methylpropanal

Common name

2-methyl-1-propanol

Common synonyms

isobutanal

Acronym

-

ISOBTALD

Empirical formula

-

C4H8O

Formula

CH3CHCHO CH3

Molecular mass

daltons

72.11

RTECS number

-

NQ4025000

Chemical category

-

aldehyde

Mixture

-

N

EC number

-

201-149-6

Properties

acidity <0.3 wt%

Product contents

Isobutyraldehyde >99.5 wt%, butyraldehyde 0.3 wt %, water 0.3 wt%

PHYSICAL PROPERTIES State

-

L

Odor

-

pungent

Color

-

colorless

Boiling point

o

C

64.0

Freezing point

o

C

-65.0

Specific gravity

-

Specific gravity temperature

o

0.780

Vapor density

air=1

2.50

Vapor pressure

kPa

23.065

Vapor pressure temperature

o

Molar volume

cm mol

Coefficients of Antoine equation

coefficient A

3.87395

coefficient B

1060.141

coefficient C

-63.196

Temperature range of Antoine equation

K

286.1 to 336.0

Viscosity

mPas (cP)

0.43

Viscosity temperature

o

Surface tension at 20oC

mN m-1

C

25.8

C

25 3

C

-1

89.4

20 22.0

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Isobutyraldehyde PARAMETER

UNIT

VALUE

Solubility in water at 20oC

mg kg-1

67000

Heat of combustion at 25 C

MJ kg-1

Coefficient of thermal expansion

10

Hansen solubility parameters, (MPa)1/2

dD

15.7

dP

10.7

o

Henry’s law constant

-4 o

33.53

C (K ) -1

-1

14.40

dH

6.1

atm/m3-mol-1

1.72E-04

Flammability

3

Health

2

Reactivity

1

Flammability

3

Health

2

Reactivity

1

HEALTH & SAFETY NFPA classification

HMIS classification

UN risk phrases, R

R11

US safety phrases, S

S2,S9,S16,S23,S24/25,S33

UN number

-

2045

UN/NA hazard class

3

UN packaging group

II

DOT class

3, II

ICAO/IATA class, packaging group

UN 2045 ISOBUTYRALDEHYDE, 3, II

IMDG class, packaging group

UN 2045 ISOBUTYRALDEHYDE, 3, II

Proper shipping name

isobutyraldehyde

Autoignition temperature

o

C

180

Flash point

o

C

-5.0

Flash point method

-

CC

Explosion limit, lower

wt%

1.60

Explosion limit, upper

wt%

11.0

Maximum concentration, 15 min., OSHA

ppm

3730

Animal testing, acute toxicity, Mouse oral LD50

mg kg-1

5630

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

8000/4H

Route of entry

Ing, Skin, Eye

Ingestion

Harmful if swallowed

Skin irritation

May be harmful if inhaled. May cause respiratory tract irritation

Eye irritation

May cause eye irritation

Inhalation

May cause respiratory track irritation

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Isobutyraldehyde PARAMETER

UNIT

VALUE

First aid: eyes

Rinse eyes immediately with large amounts of water for at least 15 minutes, occasionally lifting the eyelids. Get medical attention.

First aid: skin

Promptly flush skin with water until all chemical is removed. Remove clothing contaminated with liquid and wash before reuse.

First aid: inhalation

Remove victim to fresh air and keep at rest in a position comfortable for breathing. Call physician

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

1.61

Chemical oxygen demand

g g-1

2.24

Theoretical oxygen demand

gg

2.44

Aquatic toxicity, Daphnia magna, 48-h LC50

mg l

Atmospheric half-life

h

9.76

Montreal protocol

-

N

Partition coefficient

logKow

0.74

-1 -1

22

USE & PERFORMANCE Recommended for products

Paints and coatings resins

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Propionaldehyde PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Propionaldehyde

CAS #

-

123-38-6

IUPAC name

propanal

Common name

methylacetaldehyde

Common synonyms

propyl aldehyde

Empirical formula

-

Formula

C3H6O

CH3CH2CHO

Molecular mass

daltons

58.08

RTECS number

-

UE0350000

Chemical category

-

aldehyde

Mixture

-

N

EC number

-

204-623-0

Product contents

propionaldehyde 98 wt%, water 2 wt%

PHYSICAL PROPERTIES State

-

L

Odor

-

pungent

Odor threshold

ppm

0.008

Color

-

colorless

Boiling point

o

C

Freezing point

o

C

Refractive index at 20oC

-

1.3590

Specific gravity

-

0.800

Specific gravity temperature

o

Vapor density

air=1

2.0

Vapor pressure

kPa

31.3

Vapor pressure temperature

o

Enthalpy of vaporization

kJ mol-1

28.31

Enthalpy of vaporization temperature

K

321.1

Corrosivity

-

N

Molar volume

cm3 mol-1

73.4

Coefficients of Antoine equation

coefficient A

6.2336

coefficient B

1180

coefficient C

231

C

C

Viscosity

mPas (cP)

Viscosity temperature

o

C

49.0 -81.0

25

20

0.32 25

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Propionaldehyde PARAMETER

UNIT

VALUE

Solubility in water at 20oC

mg kg-1

200000

Heat of combustion at 25 C

MJ kg-1

Coefficient of thermal expansion

10

Hildebrand solubility parameter

(MPa)1/2

18.94

dD

15.3

dP

11.1

o

Hansen solubility parameters, (MPa)

1/2

-4 o

30.36

C (K ) -1

-1

dH

15.70

6.9

Henry’s law constant

atm/m -mol

Relative permittivity

-

18.90

Flammability

3

Health

2

Reactivity

2

3

-1

4.30E-05

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R11,R36/37/38

US safety phrases, S

S9,S16,S29

UN number

-

UN/NA hazard class

3

UN packaging group

II

DOT class

3, II

ICAO/IATA class, packaging group

UN 1275 PROPIONALDEHYDE, 3, II

1275

IMDG class, packaging group

UN 1275 PROPIONALDEHYDE, 3, II

Proper shipping name

propionaldehyde

Autoignition temperature

o

C

207

Flash point

o

C

-27.0

Flash point method

-

TCC

Explosion limit, lower

wt%

2.60

Explosion limit, upper

wt%

17.0

Maximum concentration, any time, ACGIH

ppm

20

Maximum concentration, any time, OSHA

mg m

48

Maximum concentration, any time, OSHA

ppm

20

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

800-1600

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

4035

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

Route of entry

Skin, Ing, Subcutaneous

Ingestion

Harmful if swallowed.

Skin irritation

Causes skin irritation.

-3

-1

8000/4H

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Propionaldehyde PARAMETER

UNIT

VALUE

Eye irritation

Causes eye irritation. Causes eye burns.

Inhalation

Extremely irritating to respiratory system.

First aid: eyes

Rinse immediately for at least 15 minutes with plenty of water. Immediate medical attention required.

First aid: skin

Wash immediately affected areas with water while removing contaminated clothing. Immediate medical attention required.

First aid: inhalation

Remove immediately the affected individual into fresh air and keep the person calm. Assist in breathing if necessary. Immediate medical attention required.

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

0.88

Chemical oxygen demand

g g-1

2.13

Theoretical oxygen demand

gg

2.20

Aquatic toxicity, Bluegill sunfish, 96-h LC50

mg l

Montreal protocol

-

N

Partition coefficient

logKow

0.59

-1 -1

130

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3.4 Aliphatic hydrocarbons Butane PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Butane

CAS #

-

106-97-8

IUPAC name

butane

Common name

n-butane (liquified gas)

Common synonyms

methylethylmethane; diethyl

Empirical formula

-

C4H10

Formula

CH3(CH2)2CH3

Molecular mass

daltons

58.1

RTECS number

-

EJ4200000

Chemical category

aliphatic hydrocarbon

EC number

-

203-448-7

PHYSICAL PROPERTIES State

-

G

Odor

-

faint

Odor threshold

ppm

204.0

Color

-

colorless

Boiling point

o

C

-0.5

Freezing point

o

C

-138.0

Refractive index at 20 C

-

1.3330

Specific gravity

-

0.600

Specific gravity temperature

o

Vapor density

air=1

2.10

Vapor pressure

kPa

213.7

Vapor pressure temperature

o

Enthalpy of vaporization

kJ mol-1

22.44

Enthalpy of vaporization temperature

K

272.7

Corrosivity

-

N

Molar volume

cm3 mol-1

96.5

Coefficients of Antoine equation

coefficient A

4.35576

o

C

0

C

21.0

coefficient B

1175.581

coefficient C

-2.071

Temperature range of Antoine equation

K

272.7 to 425.0

Surface tension at 20oC

mN m-1

14.87

Solubility in water at 20 C

mg kg

-1

65

Heat of combustion at 25 C

MJ kg

-1

49.33

o

o

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3.4 Aliphatic hydrocarbons Butane PARAMETER Coefficient of thermal expansion Hansen solubility parameters, (MPa)

1/2

UNIT

VALUE

10-4 oC-1 (K-1)

20.70

dD

14.1

dP

0.0

dH

0.0

Henry’s law constant

atm/m -mol

Relative permittivity

-

1.40

Flammability

4

Health

1

Reactivity

0

3

-1

9.16E-01

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R12,R45,R46

US safety phrases, S

S2,S9,S16,S53,S54

UN number

-

UN/NA hazard class

2.1

Autoignition temperature

o

C

287

Flash point

o

C

-56.0

Explosion limit, lower

wt%

1.80

Explosion limit, upper

wt%

8.40

Threshold limiting value – TWA 8h, ACGIH

mg m-3

1900

Threshold limiting value – TWA 8h, ACGIH

ppm

800

1011

Threshold limiting value – TWA 8h, NIOSH

mg m

1900

Threshold limiting value – TWA 8h, NIOSH

ppm

800

Maximum concentration, any time, ACGIH

mg m-3

1900

Maximum concentration, any time, ACGIH

ppm

800

Maximum concentration, any time, NIOSH

mg m-3

1900

Maximum concentration, any time, NIOSH

ppm

800

Maximum concentration, any time, OSHA

ppm

800

Route of entry

Inh, Skin, Eye

Target organs

CNS,Lungs,Eye,Skin

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

-3

ECOLOGICAL PROPERTIES Montreal protocol

-

N

Partition coefficient

logKow

2.89

Recommended for products

propellant, fuel, organic synthesis

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Cyclohexane PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Cyclohexane

CAS #

-

110-82-7

IUPAC name

cyclohexane

Common name

hexamethylene

Common synonyms

hexahydrobenzene

Acronym

-

CYHA

Empirical formula

-

C6H12

Molecular mass

daltons

84.2 GU6300000

Formula

RTECS number

-

Chemical category

aliphatic hydrocarbon

Mixture

-

N

EC number

-

203-806-2

-

L

PHYSICAL PROPERTIES State Odor

-

gasoline

Color

-

colorless

Boiling point

o

C

Freezing point

o

C

Refractive index at 20oC

-

1.4270

Specific gravity

-

0.779

Specific gravity temperature

o

Vapor density

air=1

2.90

Vapor pressure

kPa

10.3

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

5.60

Enthalpy of vaporization

kJ mol-1

29.97

Enthalpy of vaporization temperature

K

353.9

Acceptor number

-

Donor number

kcal mol

Polarity parameter, ET(30)

kcal mol-1

30.9

Corrosivity

-

N

Molar volume

cm mol

81.0 7.0

C

20

C

20

1.6

3

-1

-1

0.0

108.9

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Cyclohexane PARAMETER

UNIT

VALUE

Coefficients of Antoine equation

coefficient A

4.13983

coefficient B

1316.554

coefficient C

-35.581

Temperature range of Antoine equation

K

323.0 to 523.0

Viscosity

mPas (cP)

0.98

Viscosity temperature

o

Solubility in water at 20oC

mg kg-1

Heat of combustion at 25 C

MJ kg

Coefficient of thermal expansion

10

Hildebrand solubility parameter

(MPa)1/2

16.48

dD

16.8

dP

0.0

o

Hansen solubility parameters, (MPa)

1/2

C

20

-4 o

56 46.57

-1

C (K ) -1

-1

dH

11.60

0.2

Henry’s law constant

atm/m -mol

Relative permittivity

-

2.00

Flammability

3

Health

1

Reactivity

0

Flammability

3

Health

1

Reactivity

1

3

-1

1.94E-01

HEALTH & SAFETY NFPA classification

HMIS classification

UN risk phrases, R

R11,R38,R50/53,R65,R67

US safety phrases, S

S9,S16,S25,S33,S60,S61,S62

UN number

-

1145

UN/NA hazard class

3

UN packaging group

II

DOT class

3, II

ICAO/IATA class, packaging group

UN 1145 CYCLOHEXANE, 3, II

IMDG class, packaging group

UN 1145 CYCLOHEXANE, 3, II

Proper shipping name

cyclohexane

Autoignition temperature

o

C

260

Flash point

o

C

-18.0

Flash point method

-

CC

Explosion limit, lower

wt%

1.30

Explosion limit, upper

wt%

Threshold limiting value – TWA 8h, ACGIH

mg m

8.40 -3

1,030

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Cyclohexane PARAMETER

UNIT

VALUE

Threshold limiting value – TWA 8h, ACGIH

ppm

300

Threshold limiting value – TWA 8h, NIOSH

mg m-3

1,050

Threshold limiting value – TWA 8h, NIOSH

ppm

300

Threshold limiting value – TWA 8h, OSHA

mg m-3

1,050

Threshold limiting value – TWA 8h, OSHA

ppm

300 4,472

Maximum exposure concentration NIOSH-IDLH

mg m

Maximum exposure concentration NIOSH-IDLH

ppm

Maximum concentration, any time, ACGIH

ppm

Maximum concentration, any time, NIOSH

mg m

Maximum concentration, any time, NIOSH

ppm

100

Maximum concentration, any time, OSHA

mg m-3

1,050

Maximum concentration, any time, OSHA

ppm

100

Maximum concentration, 15 min., NIOSH

mg m-3

1,050

Maximum concentration, 15 min., NIOSH

ppm

300

Maximum concentration, 15 min., OSHA

mg m

Maximum concentration, 15 min., OSHA

ppm

300

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

12,705

Animal testing, acute toxicity, Mouse oral LD50

mg kg-1

813

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

7,444/6H

Route of entry

Inh, Abs, Ing, Con

Ingestion

Harmful if swallowed

Skin irritation

Causes skin irritation

Eye irritation

Causes eye irritation

Inhalation

Causes respiratory tract irritation

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

-3

1300 100 1,050

-3

1,050

-3

ECOLOGICAL PROPERTIES Aquatic toxicity Fathead minnow, 96-h LC50

mg l-1

117

Theoretical oxygen demand

gg

3.42

Montreal protocol

-

N

Partition coefficient

logKow

3.44

-1

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Cyclopentane PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Cyclopentane

CAS #

-

287-92-3

IUPAC name

cyclopentane

Common name

pentamethylene

Acronym

-

CYPN

Empirical formula

-

C5H10

Molecular mass

daltons

70.1

RTECS number

-

GY2390000

Chemical category

aliphatic hydrocarbon

Mixture

-

Y

EC number

-

206-016-6

Product contents

cyclopentane >95 wt%, pentanes <2 wt%, dimethyl butanes <2 wt%, cyclopentene <0.1 wt%

Formula

PHYSICAL PROPERTIES State

-

L

Odor

-

petrol-like

Color

-

colorless

Boiling point

o

C

49.0

Freezing point

o

C

-94.0

Refractive index at 20 C

-

1.4070

Specific gravity

-

0.745

Specific gravity temperature

o

Vapor density

air=1

2.42

Vapor pressure

kPa

36.66

Vapor pressure temperature

o

o

C

20

C

20

Enthalpy of vaporization

kJ mol

Enthalpy of vaporization temperature

K

Corrosivity

-

Molar volume

cm mol

27.30

-1

322.4 N 3

-1

94.9

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Cyclopentane PARAMETER

UNIT

VALUE

Coefficients of Antoine equation

coefficient A

4.00288

coefficient B

1119.208

coefficient C

-42.412

Temperature range of Antoine equation

K

288.9 to 323.2

Viscosity

mPas (cP)

0.4

Viscosity temperature

o

Solubility in water at 20oC

mg kg-1

Heat of combustion at 25 C

MJ kg

Coefficient of thermal expansion

10

Hansen solubility parameters, (MPa)1/2

dD

16.4

dP

0.0

o

C

25

-4 o

156 48.11

-1

C (K ) -1

-1

13.60

dH

1.8

Henry’s law constant

atm/m3-mol-1

1.88E-01

Relative permittivity

-

2.00

Flammability

3

Health

1

HEALTH & SAFETY NFPA classification

HMIS classification

UN risk phrases, R

Reactivity

0

Flammability

3

Health

1

Reactivity

1

R11,R52/53

US safety phrases, S

S2,S9,S16,S29,S33,S61

UN number

-

UN/NA hazard class

3

UN packaging group

II

DOT class

3, II

ICAO/IATA class, packaging group

UN 1146 CYCLOPENTANE, 3, II

1146

IMDG class, packaging group

UN 1146 CYCLOPENTANE, 3, II

Proper shipping name

cyclopentane

Autoignition temperature

o

C

Flash point

o

C

Flash point method

-

CC

Explosion limit, lower

wt%

1.10

Explosion limit, upper

wt%

Threshold limiting value – TWA 8h, ACGIH

mg m

1720

Threshold limiting value – TWA 8h, ACGIH

ppm

600

361 -37

8.70 -3

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Cyclopentane PARAMETER

UNIT

VALUE

Threshold limiting value – TWA 8h, NIOSH

mg m-3

1720

Threshold limiting value – TWA 8h, NIOSH

ppm

600

Threshold limiting value – TWA 8h, OSHA

ppm

600

Route of entry

Eye, Skin

Skin irritation

May cause skin irritation

Eye irritation

May cause eye irritation

Inhalation

May cause respiratory tract irritation

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Montreal protocol

-

N

Partition coefficient

logKow

3.00

USE & PERFORMANCE Manufacturer

Alfa Aesar, Chempacific Corp, Pfaltz & Bauer, Chevron Phillips

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Decane, nPARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Decane, n-

CAS #

-

124-18-5

IUPAC name

decane

Common name

decahydronaphthalene

Common synonyms

n-decan

Acronym

-

NC10

Empirical formula

-

C10H22

Formula

CH3(CH2)8CH3

Molecular mass

daltons

142.3

RTECS number

-

HD6550000

Chemical category

aliphatic hydrocarbon

Mixture

-

N

EC number

-

204-686-4

PHYSICAL PROPERTIES State

-

L

Odor

-

petroleum

Color

-

colorless

Boiling point

o

C

171.0

Freezing point

o

C

-29.0

Refractive index at 20 C

-

1.4100

Specific gravity

-

0.730

Specific gravity temperature

o

Vapor density

air=1

4.90

Vapor pressure

kPa

0.17

Vapor pressure temperature

o

o

C

20

C

25 38.75

Enthalpy of vaporization

kJ mol

Enthalpy of vaporization temperature

K

Polarity parameter, ET(30)

kcal mol-1

31.0

Molar volume

cm mol

195.9

Coefficients of Antoine equation

coefficient A

0.21021

coefficient B

440.616

Temperature range of Antoine equation

-1

447.3 3

-1

coefficient C

-156.896

K

243.5 to 310.6

Viscosity

mPas (cP)

Viscosity temperature

o

C

0.861 25

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Decane, nPARAMETER

UNIT

VALUE

Solubility in water at 20oC

mg kg-1

0.05

Heat of combustion at 25 C

MJ kg-1

Coefficient of thermal expansion

10

Hildebrand solubility parameter

(MPa)1/2

15.50

dD

15.7

dP

0.0

o

Hansen solubility parameters, (MPa)

1/2

-4 o

47.74

C (K ) -1

-1

dH

10.20

0.0

Henry’s law constant

atm/m -mol

Relative permittivity

-

2.00

Flammability

2

Health

1

Reactivity

0

Flammability

2

Health

1

Reactivity

1

3

-1

5.13E+00

HEALTH & SAFETY NFPA classification

HMIS classification

UN risk phrases, R

R10,R65

US safety phrases, S

S2,S23,S24,S62

UN number

-

UN/NA hazard class

3

UN packaging group

III

DOT class

3, III

ICAO/IATA class, packaging group

UN 2247 N-DECANE, 3, III

IMDG class, packaging group

UN 2247 N-DECANE, 3, III

Proper shipping name

n-decane

Autoignition temperature

o

C

210

Flash point

o

C

46

Flash point method

-

CC

Explosion limit, lower

wt%

0.80

Explosion limit, upper

wt%

5.40

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

0.540/91D

Route of entry

Eye, Skin

Skin irritation

Causes skin irritation

Eye irritation

May cause eye irritation

Inhalation

Inhalation of high concentrations may cause rapid breathing

Target organs

Eye,Skin

2247

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Decane, nPARAMETER

UNIT

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

VALUE

ECOLOGICAL PROPERTIES Aquatic toxicity, Daphnia magna, 48-h LC50

mg l-1

18

Aquatic toxicity Fathead minnow, 96-h LC50

mg l

500

Montreal protocol

-

N

Partition coefficient

logKow

5.01

-1

USE & PERFORMANCE Manufacturer

Chevron Phillips Chemical Co., LP

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Dodecane, nPARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Dodecane, n-

CAS #

-

112-40-3

IUPAC name

dodecane

Common name

bihexyl

Empirical formula

-

C12H26

Formula

CH3(CH2)10CH3

Molecular mass

daltons

170.34

RTECS number

-

JR2125000

Chemical category

aliphatic hydrocarbon

Mixture

-

N

EC number

-

203-967-9

PHYSICAL PROPERTIES State

-

L

Odor

-

gasoline-like

Color

-

colorless

Boiling point

o

C

216.0

Freezing point

o

C

-9.60

Refractive index at 20 C o

-

1.4200 0.750

Specific gravity

-

Specific gravity temperature

o

Vapor density

air=1

5.90

Vapor pressure

kPa

0.04

Vapor pressure temperature

o

Acceptor number

-

C

15.6

C

20 1.6

Polarity parameter, ET(30)

kcal mol

Corrosivity

-

N

Molar volume

cm3 mol-1

228.6

Coefficients of Antoine equation

coefficient A

6.98059

coefficient B

1625.93

-1

31.1

coefficient C

180.311

Viscosity

mPas (cP)

1.503

Viscosity temperature

o

C

25

Solubility in water at 20 C

mg kg

Coefficient of thermal expansion

10-4 oC-1 (K-1)

9.30

Hildebrand solubility parameter

(MPa)1/2

15.71

o

-1

0.0037

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Dodecane, nPARAMETER

UNIT

VALUE

Hansen solubility parameters, (MPa)1/2

dD

16.0

dP

0.0

dH

0.0

Henry’s law constant

atm/m3-mol-1

8.21E+00

Relative permittivity

-

2.00

Flammability

2

Health

0

HEALTH & SAFETY NFPA classification

HMIS classification

Reactivity

0

Flammability

2

Health

1

Reactivity

1

UN risk phrases, R

R65

US safety phrases, S

S2,S23,S24,S62

DOT class

not regulated

Autoignition temperature

o

C

203

Flash point

o

C

71

Explosion limit, lower

wt%

Explosion limit, upper

wt%

Animal testing, acute toxicity, Rat oral LD50

0.60 4.90 -1

mg kg

5000

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

-1

11000

Ingestion

May be fatal if swallowed

Skin irritation

May degrease the skin

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Aquatic toxicity, Daphnia magna, 48-h LC50 Aquatic toxicity, Rainbow trout, 96-h LC50

mg l-1

1000

mg l

1000

Biodegradation probability

expected to be biodegradable

Montreal protocol

-

N

Partition coefficient

logKow

6.10

-1

USE & PERFORMANCE Manufacturer

Haltermann GmbH, Chevron Phillips

Recommended for products

Fuels, similar applications to white spirit

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Ethyl cyclohexane PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Ethyl cyclohexane

CAS #

-

IUPAC name

ethylcyclohexane

Acronym

-

ETCYHA

Empirical formula

-

C8H16

1678-91-7

Formula

CH2CH3 Molecular mass

daltons

112.2

RTECS number

-

GV1140000

Chemical category

aliphatic hydrocarbon

Mixture

-

N

EC number

-

216-835-0

Product contents

ethyl cyclohexane >99 wt%

PHYSICAL PROPERTIES State

-

L

Color

-

colorless

Boiling point

o

C

131.8

Freezing point

o

C

-111.0

Refractive index at 20 C

-

1.4330

Specific gravity

-

0.788

Specific gravity temperature

o

Vapor pressure

kPa

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

1.07

Enthalpy of vaporization

kJ mol-1

34.04

Enthalpy of vaporization temperature

K

405.0

Corrosivity

-

N

Molar volume

cm3 mol-1

140.5

Coefficients of Antoine equation

coefficient A

7.00893

o

C

25 1.46

C

20

coefficient B

1465.88

coefficient C

223.369

Viscosity

mPas (cP)

0.784

Viscosity temperature

o

Solubility in water at 20oC

mg kg-1

2.9

Heat of combustion at 25 C

MJ kg

47.55

o

C

20 -1

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Ethyl cyclohexane PARAMETER Coefficient of thermal expansion Hansen solubility parameters, (MPa)

1/2

UNIT

VALUE

10-4 oC-1 (K-1)

9.85

dD

16.5

dP

1.0

dH Henry’s law constant

2.5

atm/m -mol 3

-1

6.49E-01

HEALTH & SAFETY UN risk phrases, R

R11

US safety phrases, S

S16

UN number

-

UN/NA hazard class

3

UN packaging group

II

1993

DOT class

3, II

Proper shipping name

flammable liquid, n.o.s.

Autoignition temperature

o

C

Flash point

o

C

Flash point method

-

CC

Explosion limit, lower

wt%

0.90

Explosion limit, upper

wt%

6.60

Route of entry

Ing, Inh, Eye, Skin

Ingestion

Harmful: may cause lung damage if swallowed

Skin irritation

May cause skin irritation

Eye irritation

May cause eye irritation

262 18.0

Inhalation First aid: eyes

Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.

First aid: skin

Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.

First aid: inhalation

Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical attention.

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

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Ethyl cyclohexane PARAMETER

UNIT

VALUE

Montreal protocol

-

N

Partition coefficient

logKow

4.56

ECOLOGICAL PROPERTIES

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Heptane, nPARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Heptane, n-

CAS #

-

142-82-5

IUPAC name

heptane

Common name

dipropyl methane

Common synonyms

n-heptylhydride; n-dipropylmethane

Empirical formula

-

C7H16

Formula

CH3(CH2)3CH3

Molecular mass

daltons

100.23

RTECS number

-

MI7700000

Chemical category

aliphatic hydrocarbon

Mixture

-

N

EC number

-

205-563-8

Product contents

Heptane, 99%

PHYSICAL PROPERTIES State

-

L

Odor

-

sweet

Odor threshold

ppm

150

Color

-

colorless

Boiling point

o

C

98.4

Freezing point

o

C

-90.60

Refractive index at 20 C o

-

1.3880

Specific gravity

-

Specific gravity temperature

o

0.690

Vapor density

air=1

3.50

Vapor pressure

kPa

6.093

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

3.18

Enthalpy of vaporization

kJ mol-1

31.77

Enthalpy of vaporization temperature

K

371.6

Acceptor number

-

0.0

Donor number

kcal mol-1

0.0

Polarity parameter, ET(30)

kcal mol

31.1

C

16

C

25

-1

Corrosivity

-

N

Molar volume

cm3 mol-1

147.0

Kauri butanol number

-

30

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Heptane, nPARAMETER

UNIT

VALUE

Coefficients of Antoine equation

coefficient A

4.02832

coefficient B

1268.636

coefficient C

-56.199

Temperature range of Antoine equation

K

299.1 to 372.4

Viscosity

mPas (cP)

0.397

Viscosity temperature

o

Surface tension at 20oC

mN m-1

19.70

Solubility in water at 20 C

mg kg

2.2

o

C

25 -1

Heat of combustion at 25 C

MJ kg

-1

48.20

Coefficient of thermal expansion

10-4 oC-1 (K-1)

12.40

Specific heat at 25oC

kJ K-1 mol-1

224.97

Hildebrand solubility parameter

(MPa)

Hansen solubility parameters, (MPa)1/2

dD

15.3

dP

0.0

o

1/2

15.20

dH

0.0

Henry’s law constant

atm/m3-mol-1

2.59E-04

Relative permittivity

-

1.93

Flammability

3

Health

1

Reactivity

0

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R11,R65,R38,R67,R50,R53

US safety phrases, S

S9,S16,S29,S33,S60,S61,S62

UN number

-

UN/NA hazard class

3

UN packaging group

II

DOT class

UN 1206, HEPTANES, 3, II

ICAO/IATA class, packaging group

UN 1206, HEPTANES, 3, II

IMDG class, packaging group

UN 1206, HEPTANES, 3, II, (-4 °C), MARINE POLLUTANT, (N-HEPTANE)

Proper shipping name

heptanes

Autoignition temperature

o

C

204

Flash point

o

C

-4.0

Flash point method

-

CC

Explosion limit, lower

wt%

1.05

Explosion limit, upper

wt%

Threshold limiting value – TWA 8h, ACGIH

mg m

1296

7.0 -3

1,640

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Heptane, nPARAMETER

UNIT

VALUE

Threshold limiting value – TWA 8h, ACGIH

ppm

400

Threshold limiting value – TWA 8h, NIOSH

mg m-3

350

Threshold limiting value – TWA 8h, NIOSH

ppm

85

Threshold limiting value – TWA 8h, OSHA

mg m-3

1,600

Threshold limiting value – TWA 8h, OSHA

ppm

400 21,000

Maximum exposure concentration NIOSH-IDLH

mg m

Maximum exposure concentration NIOSH-IDLH

ppm

Maximum concentration, any time, ACGIH

ppm

Maximum concentration, any time, NIOSH

mg m

Maximum concentration, any time, NIOSH

ppm

440

Maximum concentration, any time, OSHA

mg m-3

1,600

Maximum concentration, any time, OSHA

ppm

400

Maximum concentration, 15 min., ACGIH

mg m-3

2,050

Maximum concentration, 15 min., ACGIH

ppm

500

Maximum concentration, 15 min., OSHA

mg m

Maximum concentration, 15 min., OSHA

ppm

500

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

5,000

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

1,000/6H

-3

750 400 -3

-3

1,800

2,000

Route of entry

Inh, Ing, Con

Ingestion

If swallowed, will cause nausea or vomiting

Skin irritation

Moderate skin irritant

Eye irritation

Irritating to eye

First aid: eyes

Immediately flush eye(s) with plenty of water. Remove contact lenses. Protect unharmed eye. Keep eye wide open while rinsing

First aid: skin

If skin irritation persists, call a physician. If on skin, rinse well with water

First aid: inhalation

Move to fresh air. If unconscious place in recovery position and seek medical advice

Target organs

Skin,RspSys,PNS

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

Mutagenic properties

N

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Heptane, nPARAMETER

UNIT

VALUE

Biological oxygen demand, 5 days

g g-1

1.94

Theoretical oxygen demand

gg

3.52

Aquatic toxicity, Daphnia magna, 48-h LC50

mg l

Aquatic toxicity, Rainbow trout, 96-h LC50

mg l-1

1.284

Bioconcentration factor

-

3.11

Biodegradation probability

-

days-weeks

Hydroxyl rate constant

cm3 molecule-1 s-1

7.15E-12

Montreal protocol

-

N

Partition coefficient

logKow

3.78

Urban ozone formation potential

C2H4=1

0.13

Soil absorption constant

-

2.44

UV absorption

nm

<197

ECOLOGICAL PROPERTIES -1 -1

1.5

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Hexane, nPARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Hexane, n-

CAS #

-

110-54-3

IUPAC name

hexane

Common name

hexyl hydride

Empirical formula

-

C6H14

Formula

CH3(CH2)4CH3

Molecular mass

daltons

86.18

RTECS number

-

MN9275000

Chemical category

aliphatic hydrocarbon

Mixture

-

N

EC number

-

203-777-6

State

-

L

Odor

-

gasoline-like

Odor threshold

ppm

130

Color

-

colorless

Boiling point

o

C

Freezing point

o

C

Refractive index at 20oC

-

1.3750

Specific gravity

-

0.659

Specific gravity temperature

o

Vapor density

air=1

3.0

Vapor pressure

kPa

20.17

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

PHYSICAL PROPERTIES

68.7 -95.30

C

25

C

25 6.82 28.85

Enthalpy of vaporization

kJ mol

Enthalpy of vaporization temperature

K

Acceptor number

-

Donor number

kcal mol

Polarity parameter, ET(30)

kcal mol-1

31.0

Corrosivity

-

N

Molar volume

cm mol

Kauri butanol number

-

30.0

Coefficients of Antoine equation

coefficient A

4.00266

coefficient B

1171.53

coefficient C

-48.784

-1

341.9 0.0

3

-1

-1

0.0

131.4

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Hexane, nPARAMETER

UNIT

VALUE

Temperature range of Antoine equation

K

286.2 to 342.7

Viscosity

mPas (cP)

0.294

Viscosity temperature

o

Surface tension at 20oC

mN m-1

17.94

Solubility in water at 20 C

mg kg

-1

13

Heat of combustion at 25 C

MJ kg

-1

48.31

Specific heat at 25oC

kJ K-1 mol-1

Coefficient of thermal expansion

10

Hildebrand solubility parameter

(MPa)

Hansen solubility parameters, (MPa)1/2

dD

14.9

dP

0.0

o

o

C

25

-4 o

C (K ) -1

-1

1/2

195.48 13.80 14.87

dH

0.0

Henry’s law constant

atm/m3-mol-1

1.69E+00

Relative permittivity

-

1.88

Flammability

3

Health

1

Reactivity

0

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R11,R38,R48/20,R51/53,R62,R65,R67

US safety phrases, S

S9,S16,S29,S33,S36/37,S61,S62

UN number

-

UN/NA hazard class

3

UN packaging group

II

DOT class

3, II

ICAO/IATA class, packaging group

UN 1208 HEXANES, 3, II

1208

IMDG class, packaging group

UN 1208 HEXANES, 3, II

Proper shipping name

hexanes

Autoignition temperature

o

C

Flash point

o

C

Flash point method

-

TCC

Explosion limit, lower

wt%

1.10

Explosion limit, upper

wt%

7.50

Threshold limiting value – TWA 8h, ACGIH

mg m-3

176

Threshold limiting value – TWA 8h, ACGIH

ppm

50

Threshold limiting value – TWA 8h, NIOSH

mg m-3

180

Threshold limiting value – TWA 8h, NIOSH

ppm

50

Threshold limiting value – TWA 8h, OSHA

mg m

225 -22.0

-3

1,800

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Hexane, nPARAMETER

UNIT

VALUE

Threshold limiting value – TWA 8h, OSHA

ppm

500

Maximum exposure concentration NIOSH-IDLH

mg m-3

18,000

Maximum exposure concentration NIOSH-IDLH

ppm

1,100

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

28,710

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

5,000/20H

Route of entry

Inh, Ing, Con

Ingestion

May be fatal if swallowed and enters airways

Skin irritation

Causes skin irritation

Eye irritation

May cause eye irritation

Inhalation

Harmful: danger of serious damage to health by prolonged exposure through inhalation

Target organs

Skin,Eye,RspSys,CNS,Testes

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

Mutagenic properties

Y

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

2.22

Theoretical oxygen demand

g g-1

3.53

Bioconcentration factor

-

2.73

Biodegradation probability

-

days-weeks

Hydroxyl rate constant

cm3 molecule-1 s-1

5.61E-12

Montreal protocol

-

N

Partition coefficient

logKow

3.90

Urban ozone formation potential

C2H4=1

0.12

Soil absorption constant

-

2.17

UV absorption

nm

<195

USE & PERFORMANCE Recommended for products

Extraction of edible oils from seeds and vegetables, used as a cleaning agent, solvent in adhesives and primers

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Hexene, 1PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Hexene, 1-

CAS #

-

592-41-6

IUPAC name

hex-1-ene

Common name

butyl ethylene

Common synonym

hexylene

Empirical formula

-

C6H12

Molecular mass

daltons

84.16 MP6670000

Formula

RTECS number

-

Chemical category

aliphatic hydrocarbon

Mixture

-

N

EC number

-

209-753-1

Product contents

1-hexene 99%

PHYSICAL PROPERTIES State

-

L

Odor

-

aromatic

Color

-

colorless

Boiling point

o

C

63

Freezing point

o

C

-140

Refractive index at 20 C

-

o

1.3867

Specific gravity

-

Specific gravity temperature

o

Vapor density

air=1

2.9

Vapor pressure

kPa

41

Vapor pressure temperature

o

C

38

Corrosivity

-

N

Molar volume

cm3 mol-1

125.8

Coefficients of Antoine equation

coefficient A

3.99063

Temperature range of Antoine equation

0.673

C

20

coefficient B

1152.971

coefficient C

-47.301

K

289.0 to 337.5

Viscosity

mPas (cP)

Viscosity temperature

o

Solubility in water at 20oC

mg kg-1

70

Heat of combustion at 25 C

MJ kg

47.86

o

C

0.283 25

-1

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Hexene, 1PARAMETER Coefficient of thermal expansion Hansen solubility parameters, (MPa)

1/2

UNIT

VALUE

10-4 oC-1 (K-1)

14.2

dD

14.7

dP

1.1

dH Henry’s law constant

3.0

atm/m -mol 3

-1

2.95E-01

HEALTH & SAFETY NFPA classification

HMIS classification

Flammability

3

Health

1

Reactivity

0

Flammability

3

Health

1

Reactivity

0

UN risk phrases, R

R11,R65

US safety phrases, S

S9,S16,S29,S33,S62

UN number

-

UN/NA hazard class

3

UN packaging group

II

2370

DOT class

3, II

ICAO/IATA class, packaging group

UN 2370 FLAMMABLE LIQUID, 1-HEXENE, 3, II

IMDG class, packaging group

UN 2370 FLAMMABLE LIQUID, 1-HEXENE, 3, II

Proper shipping name

1-hexene

Autoignition temperature

o

C

253

Flash point

o

C

-26

Explosion limit, lower

wt%

1.2

Explosion limit, upper

wt%

Threshold limiting value – TWA 8h, ACGIH

mg m

130

Threshold limiting value – TWA 8h, ACGIH

ppm

30

Route of entry

Skin

Ingestion

May cause digestive tract disturbances

Skin irritation

May cause skin irritation

Eye irritation

May cause eye irritation

Inhalation

May cause respiratory tract irritation. Vapors may cause dizziness or suffocation

First aid: eyes

Immediately flush eye(s) with plenty of water. Remove contact lenses. Protect unharmed eye. Keep eye wide open while rinsing. Contact ophthalmologist

6.9 -3

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Hexene, 1PARAMETER

UNIT

VALUE

First aid: skin

Flush skin with water until all chemical is removed. Remove clothing contaminated with liquid and wash before reuse.

First aid: inhalation

Remove victim to fresh air and keep at rest in a position comfortable for breathing

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Montreal protocol

-

N

Partition coefficient

logKow

3.39

USE & PERFORMANCE Recommended for products

Intermediate in chemical reactions, adhesives, sealants, solvents, viscosity adjustors

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Isobutane PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Isobutane

CAS #

-

75-28-5

IUPAC name

2-methylpropane

Common name

trimethylmethane

Common synonym

2-methylpropane

Empirical formula

-

C4H10

Molecular mass

daltons

58.124

RTECS number

-

TZ4300000

EC number

-

200-857-2

-

G

Formula

PHYSICAL PROPERTIES State Odor

-

faint, petroleum-like

Color

-

colorless

Boiling point

o

C

Melting point

o

C

Refractive index at 20oC

-

-11.7 -160 to -138.2 1.3518

Specific gravity

-

Specific gravity temperature

o

0.557

Vapor density

air=1

2.01-2.06

Vapor pressure

kPa

348.1

Vapor pressure temperature

o

Corrosivity

-

N

Coefficients of Antoine equation

coefficient A

4.3281

coefficient B

1132.108

coefficient C

0.918

Temperature range of Antoine equation

K

261.31-408.12

Viscosity

mPas (cP)

0.238

Viscosity temperature

o

C

25

C

25

C

-10

Surface tension at 20 C

mN m

-1

14.1

Solubility in water at 25oC

mg kg-1

48.9

Flammability

4

Health

1

Reactivity

0

o

HEALTH & SAFETY NFPA classification

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Isobutane PARAMETER

UNIT

VALUE 1969

UN number

-

UN/NA hazard class

2.1

Autoignition temperature

o

C

460

Flash point

o

C

-83

Flash point method

-

USCG

Explosion limit, lower

wt%

1.6-1.8

Explosion limit, upper

wt%

Maximum concentration, 15 min., NIOSH

mg m

Maximum concentration, 15 min., OSHA

mg m

Maximum concentration, 15 min., OSHA

ppm

800

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

570,000

Target organs

central nervous system

8.4 -3 -3

800 1,900

ECOLOGICAL PROPERTIES Partition coefficient

logKow

2.76

USE & PERFORMANCE Manufacturer

Evonik, Praxair, Valero

Recommended for products

adhesives, sealants, fuels, paints, coatings, cleaning, furnish care, floor coverings

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Isobutene PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Isobutene

CAS #

-

115-11-7

IUPAC name

2-methylprop-1-ene

Common name

isobutylene

Common synonyms

2-methylpropene

Empirical formula

-

C4H8

Formula

CH3CCH3 CH2

Molecular mass

daltons

56.11

RTECS number

-

UD0890000

Chemical category

aliphatic hydrocarbon

Mixture

-

N

EC number

-

204-066-3

Product contents

isobutylene typically available in high purity >99%

PHYSICAL PROPERTIES State

-

G

Odor

-

characteristic

Color

-

colorless

Boiling point

o

C

-6.9

Freezing point

o

C

-140.3

Refractive index at 20 C o

-

1.3811

Specific gravity

-

Specific gravity temperature

o

0.590

Vapor density

air=1

1.94

Vapor pressure

kPa

19.76

Vapor pressure temperature

o

Corrosivity

-

N

Molar volume

cm3 mol-1

95.4

Coefficients of Antoine equation

coefficient A

3.64709

C

25

C

20

coefficient B

799.055

coefficient C

-46.615

Temperature range of Antoine equation

K

216.4 to 273.0

Solubility in water at 20 C

mg kg

Heat of combustion at 25oC

MJ kg-1

Coefficient of thermal expansion

10

o

-4 o

260

-1

48.48

C (K ) -1

-1

21.80

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Isobutene PARAMETER

UNIT

VALUE

Hansen solubility parameters, (MPa)1/2

dD

14.5

dP

2.0

Henry’s law constant

dH

1.5

atm/m3-mol-1

2.06E-01

Flammability

4

Health

1

Reactivity

0

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R12

US safety phrases, S

S2,S9,S16,S33

UN number

-

UN/NA hazard class

2.1

Autoignition temperature

o

C

465

Flash point

o

C

-10.0

Explosion limit, lower

wt%

1.80

Explosion limit, upper

wt%

9.60

Route of entry

Inh, Skin, Eye

Skin irritation

Irritating to the skin. Causes cold burn and/or frostbite

Eye irritation

Causes serious eye irritation

Inhalation

May cause respiratory irritation

First aid: eyes

Immediately flush eye(s) with plenty of water. Remove contact lenses. Protect unharmed eye. Keep eye wide open while rinsing. Contact ophthalmologist

First aid: skin

If contact liquid forms the frostbite may occurs, immerse the involved area in water at body temperature. Keep immersed for 20 to 40 min. Seek medical attention

First aid: inhalation

Remove victim to fresh air and keep at rest in a position comfortable for breathing

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

1055

ECOLOGICAL PROPERTIES Montreal protocol

-

N

Partition coefficient

logKow

2.34

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Isobutene PARAMETER

UNIT

VALUE

USE & PERFORMANCE Recommended for products

Conversion/synthesis to other chemicals

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Isopentane PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Isopentane

CAS #

-

78-78-4

IUPAC name

2-methylbutane

Common name

methylbutane, 2-

Common synonym

ethyldimethylmethane

Empirical formula

-

C5H12

Molecular mass

daltons

72.15

RTECS number

-

EK4430000

Chemical category

aliphatic hydrocarbon

Mixture

-

N

EC number

-

201-142-8

State

-

L

Odor

-

gasoline-like

Color

-

colorless

Boiling point

o

C

Freezing point

o

C

Refractive index at 20oC

-

1.351

Specific gravity

-

0.616

Specific gravity temperature

o

Vapor density

air=1

2.5

Vapor pressure

kPa

79

Vapor pressure temperature

o

C

20

Enthalpy of vaporization

kJ mol-1

Enthalpy of vaporization temperature

K

Polarity parameter, ET(30)

kcal mol

Corrosivity

-

N

Molar volume

cm3 mol-1

117.4

Coefficients of Antoine equation

coefficient A

3.97183

coefficient B

1021.864

Formula

PHYSICAL PROPERTIES

28.0 -160.00

C

25

24.69 301 -1

30.9

coefficient C

-43.231

K

300.9 to 453.4

Viscosity

mPas (cP)

0.215

Viscosity temperature

o

Temperature range of Antoine equation

C

25

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Isopentane PARAMETER

UNIT

VALUE

Surface tension at 20oC

mN m-1

13.7

Solubility in water at 20 C

mg kg-1

traces

o

Heat of combustion at 25 C

MJ kg

-1

48.81

Coefficient of thermal expansion

10-4 oC-1 (K-1)

16.90

Hildebrand solubility parameter

(MPa)1/2

13.54

dD

13.8

dP

0.0

dH

0.0

-

1.8

Flammability

4

Health

2

Reactivity

0

Flammability

4

Health

2

Reactivity

0

o

Hansen solubility parameters, (MPa)

1/2

Relative permittivity

HEALTH & SAFETY NFPA classification

HMIS classification

UN risk phrases, R

R12,R65,R66,R67,R51,R53

US safety phrases, S

S9,S16,S29,S33,S61,S62

UN number

-

UN/NA hazard class

3

UN packaging group

I

DOT class

3, I

ICAO/IATA class, packaging group

UN 1265 PENTANES, 3, I

IMDG class, packaging group

UN 1265 PENTANES, 3, I

Proper shipping name

pentanes

Autoignition temperature

o

C

420

Flash point

o

C

-51

Flash point method

-

CC

Explosion limit, lower

wt%

1.4

Explosion limit, upper

wt%

7.6

Threshold limiting value – TWA 8h, ACGIH

ppm

1265

600

Maximum concentration, any time, ACGIH

mg m

1,770

Maximum concentration, any time, ACGIH

ppm

600

Maximum concentration, any time, NIOSH

mg m-3

350

Maximum concentration, any time, NIOSH

ppm

120

Maximum concentration, 15 min., ACGIH

ppm

750

Maximum concentration, 15 min., NIOSH

ppm

1,800

-3

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Isopentane PARAMETER

UNIT

VALUE

Route of entry

Skin, Eye

Skin irritation

Causes severe skin irritation.

Eye irritation

Causes severe eye irritation.

Inhalation

Inhalation produces burning sensation &. cough.

Target organs

CNS

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Aquatic toxicity, Rainbow trout, 96-h LC50

mg l-1

3.1

Montreal protocol

-

N

Partition coefficient

logKow

2.72

Manufacturer

-

Shell, ExxonMobile

Recommended for products

fuels, intermediates, propellants, building materials, personal care products, plastics, rubber

USE & PERFORMANCE

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Methylcyclohexane PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Methylcyclohexane

CAS #

-

IUPAC name

methylcyclohexane

Common name

cyclohexylmethane

Empirical formula

-

108-87-2

C7H14

Formula

CH3 Molecular mass

daltons

98.19 GV6125000

RTECS number

-

Chemical category

aliphatic hydrocarbon

Mixture

-

N

EC number

-

203-624-3

Product contents

purity 99%

PHYSICAL PROPERTIES State

-

L

Odor

-

characteristic

Color

-

colorless

Boiling point

o

C

100.0

Freezing point

o

C

-126.7

Refractive index at 20 C o

-

1.4230

Specific gravity

-

Specific gravity temperature

o

Vapor density

air=1

3.40

Vapor pressure

kPa

5.73

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

2.99

Enthalpy of vaporization

kJ mol-1

31.27

Enthalpy of vaporization temperature

K

374.1

Corrosivity

-

N

Molar volume

cm3 mol-1

128.2

Coefficients of Antoine equation

coefficient A

6.82689

C

C

0.766 25

25

coefficient B

1272.86

coefficient C

221.63

Viscosity

mPas (cP)

0.68

Viscosity temperature

o

C

25

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Methylcyclohexane PARAMETER

UNIT

VALUE

Solubility in water at 20oC

mg kg-1

14

Surface tension at 20 C

mN m-1

23.29

o

Heat of combustion at 25 C

MJ kg

-1

47.68

Coefficient of thermal expansion

10-4 oC-1 (K-1)

11.30

Hansen solubility parameters, (MPa)1/2

dD

16.0

dP

0.0

o

dH Henry’s law constant

1.0

atm/m -mol 3

-1

4.23E-01

HEALTH & SAFETY NFPA classification

HMIS classification

Flammability

3

Health

3

Reactivity

0

Flammability

3

Health Reactivity

0

UN risk phrases, R

R11,R65,R38,R67,R51,R53

US safety phrases, S

S9,S16,S33,S61,S62

UN number

-

UN/NA hazard class

3

UN packaging group

II

2296

DOT class

3, II

ICAO/IATA class, packaging group

UN 2296 METHYLCYCLOHEXANE, 3, II

IMDG class, packaging group

UN 2296 METHYLCYCLOHEXANE, 3, II

Proper shipping name

methylcycklohexane

Autoignition temperature

o

C

250

Flash point

o

C

-4.0

Explosion limit, lower

wt%

1.20

Explosion limit, upper

wt%

Threshold limiting value – TWA 8h, ACGIH

mg m

1610

Threshold limiting value – TWA 8h, ACGIH

ppm

400

Threshold limiting value – TWA 8h, NIOSH

mg m-3

1,600

Threshold limiting value – TWA 8h, NIOSH

ppm

400

6.70 -3

Threshold limiting value – TWA 8h, OSHA

mg m

2,000

Threshold limiting value – TWA 8h, OSHA

ppm

500

Maximum exposure concentration NIOSH-IDLH

ppm

1,200

Maximum concentration, any time, ACGIH

ppm

400

-3

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Methylcyclohexane PARAMETER

UNIT

VALUE

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

2,250

Animal testing, acute toxicity, Mouse oral LD50

mg kg-1

2,250

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

86,700

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

-1

15,227/1H

Route of entry

Inh, Skin

Ingestion

Harmful if swallowed.

Skin irritation

Causes severe skin irritation.

Eye irritation

May cause eye irritation.

Inhalation

May cause respiratory tract irritation.

First aid: eyes

Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid

First aid: skin

Wash off immediately with soap and plenty of water removing all contaminated clothes and shoes . If symptoms persist call a physician

First aid: inhalation

Move person to fresh air. Give artificial respiration if not breathing. Call a physician immediately

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Montreal protocol

-

N

Partition coefficient

logKow

3.61

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Methylcyclopentane PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Methylcyclopentane

CAS #

-

96-37-7

IUPAC name

methylcyclopentane

Common name

methyl cyclopentane

Empirical formula

-

C6H12

Formula

CH3 Molecular mass

daltons

84.18

RTECS number

-

GY4640000

Chemical category

aliphatic hydrocarbon

Mixture

-

N

EC number

-

202-503-2

-

L

PHYSICAL PROPERTIES State Odor

-

gasoline

Color

-

colorless

Boiling point

o

C

72.0

Freezing point

o

C

-142.0

Refractive index at 20 C o

-

1.4100

Specific gravity

-

Specific gravity temperature

o

0.748

Vapor density

air=1

2.90

Vapor pressure

kPa

18.4

Vapor pressure temperature

o

Enthalpy of vaporization

kJ mol

Enthalpy of vaporization temperature

K

Corrosivity

-

Molar volume

cm mol

Coefficients of Antoine equation

coefficient A

3.98773

coefficient B

1186.059

C

20

C

25 31.33

-1

304.0 N 3

-1

113.0

coefficient C

-47.108

K

288.2 to 345.8

Viscosity

mPas (cP)

0.505

Viscosity temperature

o

Surface tension at 20oC

mN m-1

Temperature range of Antoine equation

C

20 21.60

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Methylcyclopentane PARAMETER

UNIT

VALUE

Solubility in water at 20oC

mg kg-1

43

Heat of combustion at 25 C

MJ kg-1

Coefficient of thermal expansion

10

Hansen solubility parameters, (MPa)1/2

dD

16.0

dP

0.0

o

Relative permittivity

-4 o

47.86

C (K ) -1

-1

12.50

dH

1.0

-

2.0

Flammability

3

Health

1

Reactivity

0

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R11,R65

US safety phrases, S

S2,S9,S16,S23,S24,S33,S62

UN number

-

2298

UN/NA hazard class

3

UN packaging group

II

DOT class

UN 2298 METHYLCYCLOPENTANE, 3, II

ICAO/IATA class, packaging group

UN 2298 METHYLCYCLOPENTANE, 3, II

IMDG class, packaging group

UN 2298 METHYLCYCLOPENTANE, 3, II

Proper shipping name

methylcyclopentane

Autoignition temperature

o

C

315

Flash point

o

C

-4.0

Explosion limit, lower

wt%

1.0

Explosion limit, upper

wt%

8.40

Route of entry

Inh

Ingestion

Harmful if swallowed.

Skin irritation

Causes severe skin irritation. May be harmful in contact with skin.

Eye irritation

Irritating to eyes.

Inhalation

Irritating to respiratory system.

First aid: eyes

Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing

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Methylcyclopentane PARAMETER

UNIT

VALUE

First aid: skin

Wash off immediately with soap and plenty of water removing all contaminated clothes and shoes . If symptoms persist call a physician.

First aid: inhalation

Move person to fresh air. Give artificial respiration if not breathing. Call a physician immediately or poison center

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Montreal protocol

-

N

Partition coefficient

logKow

3.37

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Nonane, nPARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Nonane, n-

CAS #

-

111-84-2

IUPAC name

nonane

Common name

2,2,5-trimethylhexane

Empirical formula

-

Formula

C9H20

CH3(CH2)7CH3

Molecular mass

daltons

128.26

RTECS number

-

RA6115000

Chemical category

aliphatic hydrocarbon

Mixture

-

N

EC number

-

203-913-4

PHYSICAL PROPERTIES State

-

L

Odor

-

characteristic

Odor threshold

ppm

9.80

Color

-

colorless

Boiling point

o

C

150.8

Freezing point

o

C

-53.0

Refractive index at 20 C

-

1.4054

Specific gravity

-

0.718

Specific gravity temperature

o

Vapor density

air=1

4.40

Vapor pressure

kPa

0.66

Vapor pressure temperature

o

Enthalpy of vaporization

kJ mol-1

36.91

Enthalpy of vaporization temperature

K

424.0

Corrosivity

-

N

Molar volume

cm3 mol-1

179.6

Coefficients of Antoine equation

coefficient A

4.06245

o

Temperature range of Antoine equation

C

C

20

25

coefficient B

1430.377

coefficient C

-71.355

K

343.5 to 424.9

Viscosity

mPas (cP)

Viscosity temperature

o

Surface tension at 20oC

mN m-1

C

0.672 25 22.90

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Nonane, nPARAMETER

UNIT

VALUE

Solubility in water at 20oC

mg kg-1

7000

Heat of combustion at 25 C

MJ kg-1

Coefficient of thermal expansion

10

Hansen solubility parameters, (MPa)1/2

dD

15.7

dP

0.0

o

-4 o

47.86

C (K ) -1

-1

10.70

dH

0.0

Henry’s law constant

atm/m3-mol-1

6.15E+00

Relative permittivity

-

2.00

Flammability

3

Health

1

Reactivity

0

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R10,R51/53

US safety phrases, S

S16,S61

UN number

-

UN/NA hazard class

3

UN packaging group

III

DOT class

3, III

TDG class

3, III

ICAO/IATA class, packaging group

UN 1920 NONANES, 3, III

1920

IMDG class, packaging group

UN 1920 NONANES, 3, III

Proper shipping name

nonanes

Autoignition temperature

o

C

205

Flash point

o

C

31.0

Flash point method

-

CC

Explosion limit, lower

wt%

0.80

Explosion limit, upper

wt%

Threshold limiting value – TWA 8h, ACGIH

mg m

1,050

Threshold limiting value – TWA 8h, ACGIH

ppm

200

Threshold limiting value – TWA 8h, OSHA

ppm

200

Maximum concentration, any time, ACGIH

ppm

2.90 -3

200

Maximum concentration, any time, NIOSH

mg m

1,050

Maximum concentration, any time, NIOSH

ppm

200

Maximum concentration, any time, OSHA

mg m-3

1,050

Maximum concentration, any time, OSHA

ppm

200

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

218

-3

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Nonane, nPARAMETER

UNIT

VALUE

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

3,200/4H

Route of entry

Inh, Skin, Eye

Skin irritation

Causes skin irritation.

Eye irritation

Causes eye irritation.

Inhalation

Inhalation produces ataxia, convulsions, cough & unconsciousness.

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Montreal protocol

-

N

Partition coefficient

logKow

4.76

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Octane, nPARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Octane, n-

CAS #

-

IUPAC name

octane

Empirical formula

-

111-65-9 C8H18

Formula

CH3(CH2)6CH3

Molecular mass

daltons

114.22 RG8400000

RTECS number

-

Chemical category

aliphatic hydrocarbon

Mixture

-

N

EC number

-

203-892-1

Product contents

n-octane, 97-100 wt%

PHYSICAL PROPERTIES State

-

L

Odor

-

characteristic

Color

-

colorless

Boiling point

o

C

126.0

Freezing point

o

C

-56.80

Refractive index at 20 C o

-

1.3970

Specific gravity

-

Specific gravity temperature

o

0.700

Vapor density

air=1

3.94

Vapor pressure

kPa

0.204

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

1.23

Enthalpy of vaporization

kJ mol-1

34.41

Enthalpy of vaporization temperature

K

Polarity parameter, ET(30)

kcal mol

Corrosivity

-

N

Molar volume

cm3 mol-1

163.4

Coefficients of Antoine equation

coefficient A

4.04867

coefficient B

1355.126

coefficient C

-63.633

Temperature range of Antoine equation

K

326.1 to 399.7

Viscosity

mPas (cP)

0.52

Viscosity temperature

o

C

25

C

C

20

398.8 -1

31.1

25

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Octane, nPARAMETER

UNIT

VALUE

Surface tension at 20oC

mN m-1

21.80

Solubility in water at 20 C

mg kg-1

0.43

o

Heat of combustion at 25 C

MJ kg

-1

48.01

Coefficient of thermal expansion

10-4 oC-1 (K-1)

11.10

Hildebrand solubility parameter

(MPa)1/2

15.22

dD

15.5

dP

0.0

o

Hansen solubility parameters, (MPa)

1/2

dH

0.0

Henry’s law constant

atm/m -mol

Relative permittivity

-

2.00

Flammability

3

Health

1

Reactivity

0

UN number

-

1262

UN/NA hazard class

3

UN packaging group

II

DOT class

UN 1262 Octanes, 3, II

TDG class

3, II

ICAO/IATA class, packaging group

UN 1262 Octanes, 3, II

IMDG class, packaging group

UN 1262 Octanes, 3, II, Marine Pollutant,(n-octane)

Autoignition temperature

o

C

206

Flash point

o

C

13.3

Flash point method

-

CC

Explosion limit, lower

wt%

1.00

Explosion limit, upper

wt%

Threshold limiting value – TWA 8h, ACGIH

mg m

1,400

Threshold limiting value – TWA 8h, ACGIH

ppm

300

Threshold limiting value – TWA 8h, NIOSH

mg m-3

350

Threshold limiting value – TWA 8h, NIOSH

ppm

75

3

-1

4.89E+00

HEALTH & SAFETY NFPA classification

6.50 -3

Threshold limiting value – TWA 8h, OSHA

mg m

2,350

Threshold limiting value – TWA 8h, OSHA

ppm

500

Maximum exposure concentration NIOSH-IDLH

ppm

1,000

Maximum concentration, any time, ACGIH

ppm

300

Maximum concentration, any time, OSHA

mg m-3

1,450

Maximum concentration, any time, OSHA

ppm

300

-3

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Octane, nPARAMETER

UNIT

VALUE

Maximum concentration, 15 min., ACGIH

mg m-3

1,750

Maximum concentration, 15 min., ACGIH

ppm

375

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

5,000

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

2,000

Ingestion

May be fatal if swallowed.

Skin irritation

Causes skin irritation.

Inhalation

Inhalation produces drowsiness, dizziness.

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Aquatic toxicity, Daphnia magna, 48-h LC50

mg l-1

0.3

Montreal protocol

-

N

Partition coefficient

logKow

5.18

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Pentane, nPARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Pentane, n-

CAS #

-

109-66-0

IUPAC name

pentane

Common name

amyl hydride

Empirical formula

-

C5H12

Formula

CH3(CH2)3CH3

Molecular mass

daltons

72.17 RZ9450000

RTECS number

-

Chemical category

aliphatic hydrocarbon

EC number

-

Product contents

n-pentane, 95-100 wt%

203-692-4

PHYSICAL PROPERTIES State

-

L

Odor

-

gasoline-like

Odor threshold

ppm

400

Color

-

colorless

Boiling point

o

C

36.1

Freezing point

o

C

-129.73

Refractive index at 20 C

-

1.3580

Specific gravity

-

0.630

Specific gravity temperature

o

Vapor density

air=1

2.50

Vapor pressure

kPa

68.3

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

12.0

Evaporation rate

ether=1

1.0

Enthalpy of vaporization

kJ mol

25.79

Enthalpy of vaporization temperature

K

309.2

Polarity parameter, ET(30)

kcal mol-1

31.1

Corrosivity

-

N

Molar volume

cm mol

Kauri butanol number

-

26.0

Coefficients of Antoine equation

coefficient A

3.9892

coefficient B

1070.617

coefficient C

-40.454

K

268.7 to 341.4

o

Temperature range of Antoine equation

C

15.6

C

25

3

-1

-1

116.0

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Pentane, nPARAMETER

UNIT

Viscosity

mPas (cP)

Viscosity temperature

o

Surface tension at 20oC

mN m-1

15.48

Solubility in water at 20oC

mg kg-1

39

Heat of combustion at 25 C

MJ kg

Specific heat at 25 C

kJ K mol

Thermal conductivity at 25oC

W m-1 K-1

Coefficient of thermal expansion

10

Hildebrand solubility parameter

(MPa)

Hansen solubility parameters, (MPa)1/2

dD

14.5

dP

0.0

o

o

VALUE 0.225

C

25

-1

-4 o

48.81

-1 -1

0.12

C (K ) -1

167.19

-1

1/2

10.0 14.36

dH

0.0

Henry’s law constant

atm/m3-mol-1

1.27E+00

Relative permittivity

-

1.84

Electrical conductivity

pS m

-1

1.1

HEALTH & SAFETY NFPA classification

UN risk phrases, R

Flammability

4

Health

1

Reactivity

0

R12,R51/53,R65,R66,R67

US safety phrases, S

S9,S16,S29,S33,S61,S62

UN number

-

1265

UN/NA hazard class

3

UN packaging group

II

DOT class

UN 1265 PENTANES, 3, II

TDG class

3, II

ICAO/IATA class, packaging group

UN 1265 PENTANES, 3, II

IMDG class, packaging group

UN 1265 PENTANES, 3, II (<-40oC), Marine Pollutany, (N-Pentane)

Proper shipping name

pentanes

Autoignition temperature

o

C

Flash point

o

C

Flash point method

-

TOC

Explosion limit, lower

wt%

1.42

Explosion limit, upper

wt%

7.80

Threshold limiting value – TWA 8h, ACGIH

mg m-3

1,770

Threshold limiting value – TWA 8h, ACGIH

ppm

600

243 <-40

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Pentane, nPARAMETER

UNIT

VALUE

Threshold limiting value – TWA 8h, NIOSH

mg m-3

350

Threshold limiting value – TWA 8h, NIOSH

ppm

120

Maximum exposure concentration NIOSH-IDLH

mg m-3

45,000

Maximum exposure concentration NIOSH-IDLH

ppm

1,500

Maximum concentration, any time, ACGIH

ppm

Maximum concentration, any time, NIOSH

mg m

Maximum concentration, any time, NIOSH

ppm

610

Maximum concentration, any time, OSHA

mg m-3

1,800

Maximum concentration, any time, OSHA

ppm

600

Maximum concentration, 15 min., ACGIH

mg m-3

2,210

Maximum concentration, 15 min., ACGIH

ppm

750

Maximum concentration, 15 min., NIOSH

mg m

Maximum concentration, 15 min., NIOSH

ppm

610

Maximum concentration, 15 min., OSHA

mg m-3

2,950

Maximum concentration, 15 min., OSHA

ppm

1,000

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

2,000

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

11,0000/2H mus

Route of entry

Inh, Ing, Con

Ingestion

Harmful if swallowed may cause lung damage.

Skin irritation

Repeated exposure may cause skin dryness or cracking.

Eye irritation

May cause eye irritation.

Inhalation

Inhalation vapors may cause drowsiness and dizziness.

First aid: eyes

Flush eyes with water while holding eyelids open. Rest eyes for 30 minutes. If redness, burning, blurred vision, or swelling persist, transport to the nearest medical facility for additional treatment

First aid: skin

Remove contaminated clothing. Flush exposed area with water and follow by washing with soap if available.

First aid: inhalation

Remove to fresh air. If rapid recovery does not occur, transport to nearest medical facility for additional treatment.

Target organs

RspSys,Eye,Skin,CNS,Kdny

Carcinogenicity IARC

N

Carcinogenicity NTP

N

600 -3

-3

1,800

1,800

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Pentane, nPARAMETER

UNIT

Carcinogenicity OSHA

N

Mutagenic properties

N

ECOLOGICAL PROPERTIES Aquatic toxicity, Daphnia magna, 48-h LC50 Aquatic toxicity, Rainbow trout, 96-h LC50

mg l-1

2.7

mg l-1

4.3

Theoretical oxygen demand

gg

3.56

-1

VALUE

Bioconcentration factor

-

2.35

Biodegradation probability

-

days

Hydroxyl rate constant

cm3 molecule-1 s-1

3.94E-12

Montreal protocol

-

N

Partition coefficient

logKow

3.39

Urban ozone formation potential

C2H4=1

0.11

Soil absorption constant

-

1.91

UV absorption

nm

<195

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Propane PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Propane

CAS #

-

74-98-6

IUPAC name

propane

Common name

dimethylmethane

Common synonyms

propyl hydride

Empirical formula

-

C3H8

Formula

CH3CH2CH3

Molecular mass

daltons

44.09

RTECS number

-

TX2275000

Chemical category

aliphatic hydrocarbon

Mixture

-

N

EC number

-

200-827-9

-

G

PHYSICAL PROPERTIES State Odor

-

gas

Odor threshold

ppm

5000-20000

Color

-

colorless

Boiling point

o

C

-42.5

Freezing point

o

C

-189.0

Refractive index at 20 C

-

1.2900

Specific gravity

-

0.528 (liquified)

Specific gravity temperature

o

Vapor density

air=1

1.56

Vapor pressure

kPa

780

Vapor pressure temperature

o

o

C

-45

C

20 19.04

Enthalpy of vaporization

kJ mol

Enthalpy of vaporization temperature

K

231.1

Acid dissociation constant

-

1.60

Molar volume

cm3 mol-1

75.7

Coefficients of Antoine equation

coefficient A

4.53678

-1

coefficient B

1149.36

coefficient C

24.906

Temperature range of Antoine equation

K

277.5 to 360.8

Solubility in water at 20 C

mg kg

Heat of combustion at 25oC

MJ kg-1

Coefficient of thermal expansion

10

o

-4 o

62

-1

50.18

C (K ) -1

-1

32.0

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Propane PARAMETER

UNIT

VALUE

Hansen solubility parameters, (MPa)1/2

dD

13.1

dP

0.0

dH

0.0

Henry’s law constant

atm/m3-mol-1

6.84E-01

Relative permittivity

-

1.60

Flammability

4

Health

2

Reactivity

0

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R12

US safety phrases, S

S2,S9,S16

UN number

-

UN/NA hazard class

2.1

Autoignition temperature

o

C

Flash point

o

C

-80.0

Explosion limit, lower

wt%

1.80

Explosion limit, upper

wt%

1978 450

11.20

Threshold limiting value – TWA 8h, ACGIH

mg m

1,800

Threshold limiting value – TWA 8h, ACGIH

ppm

1,000

Threshold limiting value – TWA 8h, NIOSH

mg m-3

1,800

Threshold limiting value – TWA 8h, NIOSH

ppm

1,000

Threshold limiting value – TWA 8h, OSHA

mg m-3

1,800

Threshold limiting value – TWA 8h, OSHA

ppm

1,000

Maximum exposure concentration NIOSH-IDLH

ppm

2,100

Maximum concentration, any time, ACGIH

ppm

-3

1,000

Maximum concentration, any time, NIOSH

mg m

1,800

Maximum concentration, any time, NIOSH

ppm

1,000

Maximum concentration, any time, OSHA

mg m-3

1,800

Maximum concentration, any time, OSHA

ppm

1,000

Skin irritation

On contact with liquid frostbite.

Eye irritation

On contact with liquid frostbite

Inhalation

Harmful by inhalation. Causes drowsiness, unconsciousness.

First aid: eyes

Flush eyes with a directed stream of water for at least 15 minutes. Contact physician.

-3

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Propane PARAMETER

UNIT

VALUE

First aid: skin

Remove contaminated clothing. Flush exposed area with water and follow by washing with soap if available

First aid: inhalation

Remove to fresh air. If rapid recovery does not occur, transport to nearest medical facility for additional treatment

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Montreal protocol

-

N

Partition coefficient

logKow

2.28

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Trimethyl pentane, 2,2,4PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Trimethyl pentane, 2,2,4-

CAS #

-

540-84-1

IUPAC name

2,2,4-trimethylpentane

Common name

isooctane

Common synonym

Isobutyltrimethylmethane

Acronym

-

IOA

Empirical formula

-

C8H18

Molecular mass

daltons

114.23 SA3320000

Formula

RTECS number

-

Chemical category

aliphatic hydrocarbon

Mixture

-

N

EC number

-

208-759-1

Product contents

2,2,4-trimethyl pentane 99-100 wt%

PHYSICAL PROPERTIES State

-

L

Odor

-

characteristic

Color

-

colorless

Boiling point

o

C

99

Freezing point

o

C

-107

Refractive index at 20 C o

-

1.389 0.69

Specific gravity

-

Specific gravity temperature

o

Vapor density

air=1

3.9

Vapor pressure

kPa

5.1

Vapor pressure temperature

o

C

15.6

C

20 30.79

Enthalpy of vaporization

kJ mol

Enthalpy of vaporization temperature

K

Corrosivity

-

Molar volume

cm mol

Coefficients of Antoine equation

coefficient A

3.93679

coefficient B

1257.84

Temperature range of Antoine equation

-1

372.4 N 3

-1

165.5

coefficient C

-52.415

K

297.5 to 373.3

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Trimethyl pentane, 2,2,4PARAMETER

UNIT

Viscosity

mPas (cP)

Viscosity temperature

o

Solubility in water at 20oC

mg kg-1

Heat of combustion at 25oC

MJ kg-1

Coefficient of thermal expansion

10

Hildebrand solubility parameter

(MPa)

Hansen solubility parameters, (MPa)1/2

dD

14.1

dP

0.0

Henry’s law constant

VALUE 0.475

C

25

-4 o

2.1 48.0

C (K ) -1

-1

1/2

12.0 14.44

dH

0.0

atm/m3-mol-1

3.46E+00

Flammability

3

Health

0

Reactivity

0

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R11,R65,R38,R67,R50,R53

US safety phrases, S

S2,S9,S16,S29,S33,S60,S61,S62

UN number

-

1262

UN/NA hazard class

3

UN packaging group

II

DOT class

3, II

ICAO/IATA class, packaging group

UN 1262 OCTANES, 3, II

IMDG class, packaging group

UN 1262 OCTANES, 3, II

Proper shipping name

octanes

Flash point

o

Threshold limiting value – TWA 8h, ACGIH

ppm

300

Maximum concentration, 15 min., ACGIH

ppm

375

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Aquatic toxicity, Daphnia magna, 48-h LC50 Aquatic toxicity, Rainbow trout, 96-h LC50

mg l-1

Montreal protocol

-

N

Partition coefficient

logKow

4.09

-

Halterman GmbH, Inoes

C

mg l

-10.0

-1

4 0.11

USE & PERFORMANCE Manufacturer

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Trimethyl pentane, 2,2,4PARAMETER

UNIT

VALUE

Recommended for products

Solvent and thinner, spectrophotometric analysis, components for plastic foams and cosmetics, determination of octane number of fuels, organic synthesis

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Undecane, nPARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Undecane, n-

CAS #

-

1120-21-4

IUPAC name

undecane

Common name

hexadecane

Empirical formula

-

C11H24

Formula

CH3(CH2)9CH3

Molecular mass

daltons

156.31

RTECS number

-

YQ1525000

Chemical category

aliphatic hydrocarbon

Mixture

-

N

EC number

-

214-300-6

Product contents

n-Undecane 99 wt%

PHYSICAL PROPERTIES State

-

L

Odor

-

gasoline

Color

-

colorless

Boiling point

o

C

Freezing point

o

C

Refractive index at 20oC

-

1.4400

Specific gravity

-

0.744

Specific gravity temperature

o

Vapor density

air=1

5.40

Corrosivity

-

N

Molar volume

cm3 mol-1

212.2

Coefficients of Antoine equation

coefficient A

4.10164

Temperature range of Antoine equation

196 -26.0

C

25

coefficient B

1572.477

coefficient C

-85.128

K

377.6 to 470.4

Viscosity

mPas (cP)

Viscosity temperature

o

Solubility in water at 20oC

mg kg-1

Heat of combustion at 25 C

MJ kg

Coefficient of thermal expansion

10-4 oC-1 (K-1)

o

C

1.1 25

-1

0.044 47.64 9.70

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Undecane, nPARAMETER

UNIT

VALUE

Hansen solubility parameters, (MPa)1/2

dD

16.0

dP

0.0

dH

0.0

Henry’s law constant

atm/m3-mol-1

1.92E+00

Relative permittivity

-

2.00

Flammability

2

Health

1

Reactivity

0

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R65

US safety phrases, S

S23,S24,S62

UN number

-

UN/NA hazard class

3

UN packaging group

III

2330

DOT class

3, III

ICAO/IATA class, packaging group

UN 2330 UNDECANE, 3, III

IMDG class, packaging group

UN 2330 UNDECANE, 3, III

Proper shipping name

undecane, combustible liquid

Autoignition temperature

o

C

202

Flash point

o

C

65

Explosion limit, lower

wt%

Explosion limit, upper

wt%

0.70 5.10

Animal testing, acute toxicity, Rat oral LD50

-1

mg kg

580

Animal testing, acute toxicity, Mouse oral LD50

mg kg-1

517

Ingestion

Harmful if swallowed, may cause lung damage.

Skin irritation

Causes skin irritation.

Eye irritation

Causes serious eye irritation.

Inhalation

May cause respiratory tract irritation.

First aid: eyes

Flush immediately thoroughly with water for several minutes. Remove contact lenses, if present. If irritation persists, get medical attention.

First aid: skin

Wash off with plenty of water. If skin irritation persists, call physician.

First aid: inhalation

Move person into fresh air. If not breathing, give artificial respiration. If symptoms persists, call physician.

Carcinogenicity IARC

N

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Undecane, nPARAMETER

UNIT

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

VALUE

ECOLOGICAL PROPERTIES Montreal protocol

-

N

Partition coefficient

logKow

5.74

USE & PERFORMANCE Manufacturer

Chevron Phillips Chemical Company LP

Recommended for products

Solvent, especially for printing inks and degreasing applications.

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Vinylcyclohexene, 4PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Vinylcyclohexene, 4-

CAS #

-

100-40-3

IUPAC name

4-ethenylcyclohexene

Common name

4-ethenyl-1-cyclohexene

Empirical formula

-

C8H12

Molecular mass

daltons

108.18 GW6650000

Formula

RTECS number

-

Chemical category

aliphatic hydrocarbon

Mixture

-

N

EC number

-

202-848-9

Product contents

4-vinylcyclohexene 95 wt% (technical products), 99 wt% (research), cycloocta-1,5-diene <3 wt%, water <200 ppm

PHYSICAL PROPERTIES State

-

L

Color

-

colorless

Boiling point

o

C

130.0

Freezing point

o

C

-109.0

Specific gravity

-

Specific gravity temperature

o

0.8299

Vapor density

air=1

3.70

Vapor pressure

kPa

2.09

Vapor pressure temperature

o

C

20

C

25 33.50

Enthalpy of vaporization

kJ mol

Enthalpy of vaporization temperature

K

Corrosivity

-

Molar volume

cm mol

Viscosity

mPas (cP)

Viscosity temperature

o

-1

402.2 N 3

0.315

C

25

Solubility in water at 20 C

mg kg

Heat of combustion at 25oC

MJ kg-1

Coefficient of thermal expansion

10

o

129.2

-1

-4 o

50

-1

46.60

C (K ) -1

-1

10.30

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Vinylcyclohexene, 4PARAMETER

UNIT

VALUE

Hansen solubility parameters, (MPa)1/2

dD

16.7

dP

2.5

dH

4.3

atm/m3-mol-1

4.46E-02

Henry’s law constant

HEALTH & SAFETY UN risk phrases, R

R11,R38,R40,R52/53

US safety phrases, S

S16,S36/37,S45,S61

UN number

-

1993

UN/NA hazard class

3

UN packaging group

II

ICAO/IATA class, packaging group

UN 1993 Flammable liquid, n.o.s. (4-Vinylcyclohexene)

IMDG class, packaging group

UN 1993 FLAMMABLE LIQUID, N.O.S. (4-Vinylcyclohexene) 3, II

Autoignition temperature

o

C

269

Flash point

o

C

16.0

Flash point method

-

CC

Explosion limit, lower

wt%

0.60

Explosion limit, upper

wt%

Threshold limiting value – TWA 8h, ACGIH

mg m

0.4

Threshold limiting value – TWA 8h, ACGIH

ppm

0.1

Maximum concentration, any time, ACGIH

ppm

Animal testing, acute toxicity, Rat oral LD50

9.10 -3

0.1

mg kg

-1

2,563

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

-1

16,640

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

Route of entry

Con

Ingestion

IF SWALLOWED: Immediately call a POISON CENTER or physician.

Skin irritation

May cause skin irritation.

Eye irritation

May cause eye irritation.

First aid: eyes

Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician

First aid: skin

Wash off with plenty of water. Take off all contaminated clothing immediately. If skin irritation persists, call physician.

8,000/4H

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Vinylcyclohexene, 4PARAMETER

UNIT

VALUE

First aid: inhalation

Move person into fresh air. If not breathing, give artificial respiration. Consult a physician.

Carcinogenicity IARC

2B

ECOLOGICAL PROPERTIES Montreal protocol

-

N

Partition coefficient

logKow

3.93

USE & PERFORMANCE Manufacturer

DuPont, Acros Organics

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3.5 Amides Acetamide PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Acetamide

CAS #

-

60-35-5

IUPAC name

ethanamide

Common name

acetic acid amide

Common synonyms

methanecarboxamide

Empirical formula

-

C2H5NO

Formula

NH2

CH3C

O

Molecular mass

daltons

59.1

RTECS number

-

AB4025000

Chemical category

-

amide

Mixture

-

N

EC number

-

200-473-5

State

-

S

Odor

-

mousy

Odor threshold

ppm

21.4

Color

-

colorless

Boiling point

o

C

222.0

Freezing point

o

C

81.00

PHYSICAL PROPERTIES

Refractive index at 20 C o

-

1.4290

Specific gravity

-

Specific gravity temperature

o

C

20

Vapor pressure

kPa

133

Vapor pressure temperature

o

Corrosivity

-

Molar volume

cm3 mol-1

59.0

Solubility in water at 20 C

mg kg

2,000,000

Coefficients of Antoine equation

coefficient A

o

Hansen solubility parameters, (MPa)1/2

1.160

C

65 Y -1

8.246

coefficient B

2413.32

coefficient C

227.71

dD

17.3

dP

18.7

dH

19.3

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3.5 Amides Acetamide PARAMETER

UNIT

VALUE

Relative permittivity

-

41.00

Flammability

1

Health

2

Reactivity

0

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R40

US safety phrases, S

S2,S36/37

UN number

-

3077

UN/NA hazard class

9

UN packaging group

III

Proper shipping name

Environmentally hazardous substances, solid, n.o.s.

Flash point

o

C

126

Explosion limit, lower

wt%

3.60

Explosion limit, upper

wt%

20.50

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

7,000

Animal testing, acute toxicity, Mouse oral LD50

mg kg-1

12,900

Route of entry

Ing, Skin, Eye

Ingestion

May be harmful if swallowed

Skin irritation

May be harmful if absorbed through skin. May cause skin irritation.

Eye irritation

May cause eye irritation

Inhalation

Harmful if inhaled

First aid: eyes

Irrigate immediately

Target organs

Eye, Skin

Carcinogenicity IARC

2A (Probable for human)

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

Mutagenic properties

no data available

Reproduction/developmental toxicity

no data available

ECOLOGICAL PROPERTIES Chemical oxygen demand

g g-1

0.75

Theoretical oxygen demand

g g-1

1.80

Montreal protocol

-

N

Partition coefficient

logKow

-1.26

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Dimethylacetamide, N,NPARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Dimethylacetamide, N,N-

CAS #

-

127-19-5

IUPAC name

N,N-dimethylethanamide

Common name

acetic acid dimethylamide

Common synonyms

dimethylacetamide

Acronym

-

DMAc

Empirical formula

-

C4H9NO

Formula

CH3CN O

CH3 CH3

Molecular mass

daltons

87.12

RTECS number

-

AB7700000

Chemical category

-

amide

Mixture

-

N

EC number

-

204-826-4

PHYSICAL PROPERTIES State

-

L

Odor

-

ammonia, fishy

Color

-

colorless

Boiling point

o

C

165.0

Freezing point

o

C

-20.0

Refractive index at 20 C o

-

1.4380

Specific gravity

-

Specific gravity temperature

o

0.936

Vapor density

air=1

3.00

Vapor pressure

kPa

0.176

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

0.14

Enthalpy of vaporization

kJ mol-1

50.20

Enthalpy of vaporization temperature

K

298.2

Acceptor number

-

13.6

Donor number

kcal mol-1

27.8

Polarity parameter, ET(30)

kcal mol

-1

42.9

Molar volume

cm mol

-1

93.0

C

25

C

20

3

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Dimethylacetamide, N,NPARAMETER

UNIT

VALUE

Coefficients of Antoine equation

coefficient A

6.09451

coefficient B

2725.96

coefficient C

28.209

Temperature range of Antoine equation

K

303.0 to 363.0

Viscosity

mPas (cP)

0.927

Viscosity temperature

o

Surface tension at 20oC

mN m-1

Solubility in water at 20 C

mg kg

Specific heat at 25 C

kJ K mol

Thermal conductivity at 25oC

W m-1 K-1

Coefficient of thermal expansion

10

Hildebrand solubility parameter

(MPa)

Hansen solubility parameters, (MPa)1/2

dD

16.8

dP

11.5

o

o

C

20

-1

-4 o

32.43 infinite

-1 -1

0.174

C (K ) -1

176.98

-1

1/2

9.30 22.09

dH

9.4

Henry’s law constant

atm/m3-mol-1

5.39E-08

Relative permittivity

-

37.78

Flammability

2

Health

2

Reactivity

0

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R61,R20/21

US safety phrases, S

S53,S45

UN number

-

UN/NA hazard class

6.1

UN packaging group

III

ICAO/IATA class, packaging group

UN 2810 TOXIC LIQUID, ORGANIC, N.O.S. (N,N-DIMETHYLACETAMIDE), 6.1, III

IMDG class, packaging group

UN 2810 TOXIC LIQUID, ORGANIC, N.O.S. (N,N-DIMETHYLACETAMIDE), 6.1, III

Proper shipping name

toxic liquid, organic, n.o.s. (NN-dimethylacetamide)

Autoignition temperature

o

C

400

Flash point

o

C

64.0

Flash point method

-

CC

Explosion limit, lower

wt%

1.70

2810

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Dimethylacetamide, N,NPARAMETER

UNIT

VALUE

Explosion limit, upper

wt%

11.50

Threshold limiting value – TWA 8h, ACGIH

mg m-3

36

Threshold limiting value – TWA 8h, ACGIH

ppm

10

Threshold limiting value – TWA 8h, NIOSH

mg m-3

35

Threshold limiting value – TWA 8h, NIOSH

ppm

10

Threshold limiting value – TWA 8h, OSHA

mg m

35

Threshold limiting value – TWA 8h, OSHA

ppm

10

Maximum exposure concentration NIOSH-IDLH

mg m-3

1,450

Maximum exposure concentration NIOSH-IDLH

ppm

400

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

5,830

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

2,240

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

-3

-1

Route of entry

Inh, Abs, Ing, Con

Target organs

Lvr,Skin

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

2,475/1H

ECOLOGICAL PROPERTIES Theoretical oxygen demand

g g-1

1.84

Bioconcentration factor

-

0.15

Hydroxyl rate constant

cm3 molecule-1 s-1

1.31E-13

Montreal protocol

-

N

Partition coefficient

logKow

-0.77

Urban ozone formation potential

C2H4=1

0.00

Soil absorption constant

-

9.31

UV absorption

nm

<270

USE & PERFORMANCE Manufacturer

BASF AG, Du Pont, Merck Schuchardt OHG

Recommended for polymers

acryl and polyamide fibres

Recommended for products

Solvent for plastics, resins, sums, electrolytes, dyes, pharmaceutical

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Dimethylformamide, N,NPARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Dimethylformamide, N,N-

CAS #

-

68-12-2

IUPAC name

N,N-dimethylmethanamide

Common name

formic acid dimethylamide

Common synonyms

N-formyldimethylamine

Acronym

-

DMF

Empirical formula

-

C3H7NO

Formula

O CHN

CH3 CH3

Molecular mass

daltons

73.09

RTECS number

-

LQ2100000

Chemical category

-

amide

Mixture

-

N

EC number

-

200-679-5

PHYSICAL PROPERTIES State

-

L

Odor

-

characteristic

Color

-

colorless

Boiling point

o

C

153.0

Freezing point

o

C

-61.0

Refractive index at 20 C o

-

1.4280

Specific gravity

-

Specific gravity temperature

o

0.950

Vapor density

air=1

2.51

Vapor pressure

kPa

0.492

Vapor pressure temperature

o

Acceptor number

-

Donor number

kcal mol-1

26.6

Polarity parameter, ET(30)

kcal mol

43.2

C

23

C

25 16.0 -1

Corrosivity

-

Y

Molar volume

cm3 mol-1

77.4

Coefficients of Antoine equation

coefficient A

3.93068

Temperature range of Antoine equation

coefficient B

1337.716

coefficient C

-82.648

K

303.0 to 363.0

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Dimethylformamide, N,NPARAMETER

UNIT

Viscosity

mPas (cP)

Viscosity temperature

o

Solubility in water at 20oC

mg kg-1

miscible

Coefficient of thermal expansion

10-4 oC-1 (K-1)

9.80

Hildebrand solubility parameter

(MPa)1/2

23.67

dD

17.4

dP

13.7

dH

11.3

Flammability

2

Health

2

Hansen solubility parameters, (MPa)

1/2

C

VALUE 0.802 25

HEALTH & SAFETY NFPA classification

HMIS classification

Reactivity

0

Flammability

2

Health

1

Reactivity

1

UN risk phrases, R

R61,R20/21,R36

US safety phrases, S

S53,S45

UN number

-

UN/NA hazard class

3

UN packaging group

III

2265

DOT class

3, III

ICAO/IATA class, packaging group

UN 2265 N,N-DIMETHYLFORMAMIDE, 3, III

IMDG class, packaging group

UN 2265 N,N-DIMETHYLFORMAMIDE, 3, III

Proper shipping name

N,N-dimethylformamide

Autoignition temperature

o

C

410

Flash point

o

C

58

Flash point method

-

OC

Explosion limit, lower

wt%

2.20

Explosion limit, upper

wt%

16.00

Threshold limiting value – TWA 8h, ACGIH

mg m

30

Threshold limiting value – TWA 8h, ACGIH

ppm

10

Threshold limiting value – TWA 8h, NIOSH

mg m-3

30

Threshold limiting value – TWA 8h, NIOSH

ppm

10

Threshold limiting value – TWA 8h, OSHA

mg m-3

30

Threshold limiting value – TWA 8h, OSHA

ppm

10

Maximum exposure concentration NIOSH-IDLH

ppm

500

-3

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Dimethylformamide, N,NPARAMETER

UNIT

VALUE

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

2,800

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

1,500

Route of entry

Ing, Intravenous, Subacutaneous, Intramuscular

Carcinogenicity IARC

2B

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

Mutagenic properties

Y

ECOLOGICAL PROPERTIES Theoretical oxygen demand

g g-1

1.86

Montreal protocol

-

N

Partition coefficient

logKow

-1.01

USE & PERFORMANCE Manufacturer

Celanese N.V., Du Pont, Merck Schuchardt OHG

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Formamide PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Formamide

CAS #

-

75-12-7

IUPAC name

formamide

Common name

methanamide

Common synonyms

carbamaldehyde

Empirical formula

-

CH3NO

Formula

H2NCHO

Molecular mass

daltons

45.04

RTECS number

-

LQ0525000

Chemical category

-

amide

Mixture

-

N

EC number

-

200-842-0

PHYSICAL PROPERTIES State

-

S or L

Odor

-

odorless

Color

-

clear, colorless

Boiling point

o

C

218 (decomp)

Freezing point

o

C

26.0

Refractive index at 20 C o

-

1.4460

Specific gravity

-

Specific gravity temperature

o

1.130

Vapor density

air=1

1.60

Vapor pressure

kPa

0.002

Vapor pressure temperature

o

Acceptor number

-

Donor number

kcal mol-1

24.0

Polarity parameter, ET(30)

kcal mol

55.8

C

20

C

20 39.8 -1

Corrosivity

-

Y

Molar volume

cm3 mol-1

39.9

Coefficients of Antoine equation

coefficient A

7.5852

coefficient B

3881.305

coefficient C

27.655

Temperature range of Antoine equation

K

343.6 to 483.6

pH

-

7.3

Viscosity

mPas (cP)

3.3

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Formamide PARAMETER

UNIT

Viscosity temperature

o

C

VALUE 25

Solubility in water at 20 C

mg kg-1

Heat of combustion at 25 C

MJ kg

Coefficient of thermal expansion

10-4 oC-1 (K-1)

7.50

Hildebrand solubility parameter

(MPa)1/2

38.86

dD

17.2

dP

26.2

dH

19.0

-

84.00

Flammability

1

Health

2

o

o

Hansen solubility parameters, (MPa)

1/2

Relative permittivity

-1

infinite 15.17

HEALTH & SAFETY NFPA classification

Reactivity UN risk phrases, R

R61

US safety phrases, S

S45,S53

UN/NA hazard class

not regulated

DOT class

not regulated

Autoignition temperature

o

C

500

Flash point

o

C

154

Flash point method

-

OC

Explosion limit, lower

wt%

7.0

Explosion limit, upper

wt%

29.30

Threshold limiting value – TWA 8h, ACGIH

mg m

18

Threshold limiting value – TWA 8h, ACGIH

ppm

10

Threshold limiting value – TWA 8h, OSHA

ppm

20

Maximum concentration, 15 min., OSHA

ppm

30

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

5,577

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

1,200

Route of entry

Skin, Subcutaneous

Skin irritation

Slightly irritating to the skin

Eye irritation

Slightly irritating to the eyes.

Chronic effects

Repeated exposure to large quantities may damage blood cells and inner organs

Carcinogenicity IARC

Suspected of causing cancer

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

-3

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Formamide PARAMETER

UNIT

VALUE

Reproduction/developmental toxicity

May damage the unborn child

ECOLOGICAL PROPERTIES Montreal protocol

-

N

Partition coefficient

logKow

-1.51

USE & PERFORMANCE Manufacturer

BASF AG, Mallinckrodt Baker Inc/ Avantor Performance Materials

Recommended for products

in the agrochemical and pharmaceutical industries

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3.6 Amines Ammonia PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Ammonia

CAS #

-

7664-41-7

IUPAC name

azane

Empirical formula

-

H3N

Formula

NH3

Molecular mass

daltons

17.03

RTECS number

-

BO0875000

Chemical category

-

amine

Mixture

-

N

EC number

-

231-635-3

-

G

PHYSICAL PROPERTIES State Odor

-

pungent

Odor threshold

ppm

5.2

Color

-

Colorless

Boiling point

o

C

-33.0

Freezing point

o

C

-78.0

Refractive index at 20 C o

-

1.3250 0.817

Specific gravity

-

Specific gravity temperature

o

Vapor density

air=1

0.59

Vapor pressure

kPa

1013

Vapor pressure temperature

o

C

-79

C

26

Donor number

kcal mol

-1

59.0

Polarity parameter, ET(30)

kcal mol-1

39.5

Corrosivity

-

Y

Molar volume

cm mol

Coefficients of Antoine equation

coefficient A

4.86886

coefficient B

1113.928

3

-1

25.0

coefficient C

-10.409

K

239.5 to 371.4

pH

-

10.6 - 11.6

Surface tension at 20oC

mN m-1

23.40

Solubility in water at 20 C

mg kg

-1

540,000

Heat of combustion at 25 C

MJ kg

-1

18.59

Temperature range of Antoine equation

o

o

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3.6 Amines Ammonia PARAMETER

UNIT

Hildebrand solubility parameter Hansen solubility parameters, (MPa)

1/2

Relative permittivity

VALUE

(MPa)1/2

28.68

dD

13.7

dP

16.7

dH

18.8

-

16.50

Flammability

0

Health

3

HEALTH & SAFETY NFPA classification

HMIS classification

Reactivity

0

Flammability

0

Health

3

Reactivity

0

UN risk phrases, R

R10,R23,R34,R50

US safety phrases, S

S26,S7,S45,S36/37/39,S16,S9,S61

UN number

-

UN/NA hazard class

2.3(8)

1005

UN packaging group

II

ICAO/IATA class, packaging group

UN 1005 2.3(8) Ammonia, anhydrous

IMDG class, packaging group

UN 1005 2.3(8) AMMONIA, ANHYDROUS

Autoignition temperature

o

C

651

Explosion limit, lower

wt%

15.0

Explosion limit, upper

wt%

28.0

Threshold limiting value – TWA 8h, ACGIH

mg m

25

Threshold limiting value – TWA 8h, ACGIH

ppm

17

Threshold limiting value – TWA 8h, OSHA

ppm

50

Maximum exposure concentration NIOSH-IDLH

mg m-3

210

Maximum exposure concentration NIOSH-IDLH

ppm

300

Maximum concentration, any time, ACGIH

ppm

25

Maximum concentration, 15 min., ACGIH

ppm

Maximum concentration, 15 min., NIOSH

mg m

Maximum concentration, 15 min., NIOSH

ppm

35

Maximum concentration, 15 min., OSHA

mg m-3

35

Maximum concentration, 15 min., OSHA

ppm

50

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

2,000/4H

-3

35 27

-3

Route of entry

Inh, Skin, Eye

Skin irritation

Causes skin irritation

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3.6 Amines Ammonia PARAMETER

UNIT

VALUE

Eye irritation

Causes eye irritation

Inhalation

Harmful if inhaled. Causes respiratory tract irritation

First aid: eyes

Immediately flush with plenty of water

First aid: skin

Flush with large amounts of water

First aid: inhalation

Remove to fresh air, get medical attention

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Montreal protocol

-

N

Partition coefficient

logKow

-1.38

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Ammonia (solution) PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Ammonia (solution)

CAS #

-

1336-21-6

IUPAC name

ammonium hydroxide

Common name

ammonium hydrate, 10-35% solution

Common synonyms

aqua ammonia

Empirical formula

-

Formula

H4NO

NH3OH

Molecular mass

daltons

35.1

RTECS number

-

BQ9625000

Chemical category

-

amine

Mixture

-

Y

EC number

-

215-647-6

State

-

L

Odor

-

pungent

Odor threshold

ppm

0.043 to 5 (30 wt%)

Color

-

colorless

Boiling point

o

C

27.2 (29.4 wt%)

Freezing point

o

C

-62 (25 wt%)

Refractive index at 20oC

-

Specific gravity

-

Specific gravity temperature

o

Vapor density

air=1

1.21

Vapor pressure

kPa

15.3 (10 wt%); 29.5 (19 wt%)

Vapor pressure temperature

o

Corrosivity

-

Y

pH

-

aprox 14

PHYSICAL PROPERTIES

C

C

0.96 (10 wt%); 0.925 (20 wt%) 20

20

Viscosity

mPas (cP)

Viscosity temperature

o

Solubility in water at 20oC

mg kg-1

miscible

Flammability

0

Health

3

Reactivity

0

C

1.1 (26 wt%) 27

HEALTH & SAFETY NFPA classification

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Ammonia (solution) PARAMETER

UNIT

VALUE

HMIS classification

Flammability

0

Health

3

Reactivity

0

UN risk phrases, R

R34,R50,R11,R19,R36/37,R40,R66, R23/24/25,S39

US safety phrases, S

S1/2,S26,S36/37/39,S45,S61,S24/25, S9,S16S36/37,S46,S7

UN number

-

2672

UN/NA hazard class

8

UN packaging group

III

DOT class

8

ICAO/IATA class, packaging group

UN 2672 8 III Ammonia solution

IMDG class, packaging group

UN 2672 8 III AMMONIA SOLUTION, Marine pollutant

Proper shipping name

Ammonia solution

Autoignition temperature

o

C

651

Explosion limit, lower

wt%

16.0

Explosion limit, upper

wt%

33.60

Threshold limiting value – TWA 8h, ACGIH

mg m-3

25

Threshold limiting value – TWA 8h, ACGIH

ppm

17

Maximum exposure concentration NIOSH-IDLH

ppm

350

Maximum concentration, any time, ACGIH

mg m-3

18 (20-22% NH3)

Maximum concentration, any time, ACGIH

ppm

25 (20-22% NH3)

Maximum concentration, 15 min., ACGIH

mg m-3

24

Animal testing, acute toxicity, Rat oral LD50

mg kg

350

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

Route of entry

Skin,Inh

Ingestion

Toxic if swallowed

Skin irritation

May be harmful if absorbed through skin. Causes skin burns

Eye irritation

Causes eye irritation

Inhalation

Harmful if inhaled. Causes respiratory tract irritation

First aid: eyes

Immediately flush with plenty of water

First aid: skin

Take off contaminated clothing and shoes immediately. Wash off with soap and plenty of water. Consult a physician

-1

3670/4H

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Ammonia (solution) PARAMETER

UNIT

VALUE

First aid: inhalation

Move person into fresh air. If not breathing, give artificial respiration. Consult a physician

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Aquatic toxicity, Bluegill sunfish, 96-h LC50

mg l-1

0.024-0.093/48H

Aquatic toxicity, Daphnia magna, 48-h LC50

mg l

-1

101

Aquatic toxicity Fathead minnow, 96-h LC50

mg l

-1

Montreal protocol

-

N

Partition coefficient

logKow

-2.66

8.2

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Aniline PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Aniline

CAS #

-

62-53-3

IUPAC name

aniline

Common name

aminobenzene

Common synonyms

phenylamine

Empirical formula

-

C6H7N

Formula

NH2 Molecular mass

daltons

93.1

RTECS number

-

BW6650000

Chemical category

-

amine

Mixture

-

N

EC number

-

200-539-3

PHYSICAL PROPERTIES State

-

L

Odor

-

characteristic

Odor threshold

ppm

0.50

Color

-

colorless

Boiling point

o

C

Freezing point

o

C

Refractive index at 20oC

-

1.5830

Specific gravity

-

1.020

Specific gravity temperature

o

Vapor density

air=1

3.20

Vapor pressure

kPa

0.04

Vapor pressure temperature

o

Enthalpy of vaporization

kJ mol-1

42.44

Enthalpy of vaporization temperature

K

457.2

Donor number

kcal mol-1

35.0

Polarity parameter, ET(30)

kcal mol

44.3

184.0 -6.0

C

20

C

20

Acid dissociation constant

-

Corrosivity

-

Molar volume

cm mol

-1

9.30 Y 3

-1

91.6

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Aniline PARAMETER

UNIT

VALUE

Coefficients of Antoine equation

coefficient A

4.34541

coefficient B

1661.858

coefficient C

-74.048

Temperature range of Antoine equation

K

304.0 to 457.0

pH

-

8.8 (36 g/l)

Viscosity

mPas (cP)

Viscosity temperature

o

Surface tension at 20oC

mN m-1

Solubility in water at 20 C

mg kg

Coefficient of thermal expansion

10-4 oC-1 (K-1)

8.43

Hildebrand solubility parameter

(MPa)1/2

23.67

dD

20.1

dP

5.8

o

Hansen solubility parameters, (MPa)

1/2

3.77

C

25 42.90 34000

-1

dH

11.2

Henry’s law constant

atm/m -mol

Relative permittivity

-

7.30

Flammability

2

Health

3

Reactivity

0

Flammability

2

Health

3

Reactivity

0

3

-1

1.71E-06

HEALTH & SAFETY NFPA classification

HMIS classification

UN risk phrases, R

R23/24/25,R40,R41,R43,R48/23/24/25, R68,R50

US safety phrases, S

S1/2,S26,S27,S36/37/39,S45,S46, S61,S63

UN number

-

1547

UN/NA hazard class

6.1

UN packaging group

II

DOT class

6.1

ICAO/IATA class, packaging group

forbidden

IMDG class, packaging group

UN 1547 ANILINE, 6.1,II

Proper shipping name

aniline

Autoignition temperature

o

C

615

Flash point

o

C

70

Flash point method

-

CC

Explosion limit, lower

wt%

1.20

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Aniline PARAMETER

UNIT

VALUE

Explosion limit, upper

wt%

11.0

Threshold limiting value – TWA 8h, ACGIH

mg m-3

7.6

Threshold limiting value – TWA 8h, ACGIH

ppm

2

Threshold limiting value – TWA 8h, OSHA

mg m-3

19

Threshold limiting value – TWA 8h, OSHA

ppm

5

Maximum concentration, any time, NIOSH

mg m

381

Maximum concentration, any time, NIOSH

ppm

100

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

250

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

1400

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

Route of entry

Inh, Skin Eye

Ingestion

Toxic if swallowed

Skin irritation

Toxic if absorbed through skin. Causes skin irritation

Eye irritation

Causes eye irritation

Inhalation

Toxic if inhaled. Causes respiratory tract irritation

First aid: eyes

Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician

First aid: skin

Wash off with soap and plenty of water. Take victim immediately to hospital

First aid: inhalation

Move person into fresh air. If not breathing, give artificial respiration. Take to hospital

Chronic effects

May cause bladder cancer

Target organs

Blood, CVS, Eye, Lvr, Kdny, RespSys

Carcinogenicity IARC

Reported to be possibly carcinogenic

-3

-1

175/7H

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

1.76

Biological oxygen demand, 20 days

gg

-1

2.02

Chemical oxygen demand

g g-1

2.34

Theoretical oxygen demand

gg

2.41

Aquatic toxicity, Daphnia magna, 48-h LC50

mg l

Montreal protocol

-

N

Partition coefficient

logKow

0.90

-1 -1

0.1

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262

Butylamine, nPARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Butylamine, n-

CAS #

-

Common name

1-aminobutane

Common synonyms

monobutylamine

Empirical formula

-

109-73-9

C4H11N

Formula

CH3(CH2)3NH2

Molecular mass

daltons

73.16

RTECS number

-

EO2975000

Chemical category

-

amine

Mixture

-

N

EC number

-

203-699-2

PHYSICAL PROPERTIES State

-

L

Odor

-

fishy, ammonia

Odor threshold

ppm

1.80

Color

-

colorless

Boiling point

o

C

77.1

Freezing point

o

C

-47.0

Refractive index at 20 C

-

1.399

Specific gravity

-

0.736

Specific gravity temperature

o

Vapor density

air=1

2.50

Vapor pressure

kPa

10.2

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

3.59

Enthalpy of vaporization

kJ mol-1

31.81

Enthalpy of vaporization temperature

K

350.2

Donor number

kcal mol-1

42.0

Polarity parameter, ET(30)

kcal mol

37.6

o

C

25

C

25

-1

Acid dissociation constant

-

10.77

Molar volume

cm3 mol-1

98.8

pH

-

13

Viscosity

mPas (cP)

Viscosity temperature

o

Corrosivity

-

C

0.507 25 Y

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Butylamine, nPARAMETER

UNIT

VALUE

Surface tension at 20oC

mN m-1

23.17

Solubility in water at 20 C

mg kg-1

Specific heat at 25 C

kJ K mol

Coefficient of thermal expansion

10-4 oC-1 (K-1)

12.0

Hildebrand solubility parameter

(MPa)1/2

17.80

dD

16.2

dP

4.5

o

o

Hansen solubility parameters, (MPa)

-1

1/2

miscible 187.86

-1

dH

8.0

Henry’s law constant

atm/m -mol

Relative permittivity

-

5.40

Flammability

3

Health

3

Reactivity

0

Flammability

3

Health

3

Reactivity

0

3

-1

4.50E-05

HEALTH & SAFETY NFPA classification

HMIS classification

UN risk phrases, R

R11,R20/21/22,R35

US safety phrases, S

S1/2,S3,S16,S26,S29,S36/37/39,S45

UN number

-

UN/NA hazard class

3

UN packaging group

II

1125

DOT class

UN 1125 Butylamine, 3 (8), II

ICAO/IATA class, packaging group

UN 1125 BUTYLAMINE, 3 (8), II

IMDG class, packaging group

UN 1125 BUTYLAMINE, 3 (8), II

Proper shipping name

butylamine

Autoignition temperature

o

C

320

Flash point

o

C

-7.5

Flash point method

-

CC

Explosion limit, lower

wt%

1.70

Explosion limit, upper

wt%

9.80

Threshold limiting value – TWA 8h, ACGIH

mg m

15

Threshold limiting value – TWA 8h, ACGIH

ppm

5

Threshold limiting value – TWA 8h, OSHA

mg m-3

15

Threshold limiting value – TWA 8h, OSHA

ppm

5

Maximum exposure concentration NIOSH-IDLH

mg m-3

6080

Maximum exposure concentration NIOSH-IDLH

ppm

300

-3

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Butylamine, nPARAMETER

UNIT

Maximum concentration, any time, ACGIH

mg m-3

15

Maximum concentration, any time, ACGIH

ppm

5

Maximum concentration, any time, NIOSH

mg m-3

15

Maximum concentration, any time, NIOSH

ppm

5

Maximum concentration, any time, OSHA

mg m-3

15

Maximum concentration, any time, OSHA

ppm

5

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

720 (BASF-Test)

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

629

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

-1

VALUE

267/2H

Route of entry

Inh, Abs, Ing, Con

Ingestion

May cause irritation of the digestive tract

Skin irritation

Causes skin burns

Eye irritation

Causes eye burns

Inhalation

May cause irritation of respiratory tract

Target organs

RspSys,Skin,Eye

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

Mutagenic properties

N

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

Theoretical oxygen demand

gg

Bioconcentration factor

-

0.51

Biodegradation probability

-

days

Hydroxyl rate constant

cm3 molecule-1 s-1

3.35E-11

Montreal protocol

-

N

-1

2.24 2.83

Partition coefficient

logKow

0.83

Urban ozone formation potential

C2H4=1

0.26

Soil absorption constant

-

1.78

USE & PERFORMANCE Manufacturer

BASF AG, Bayer AG

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265

Cyclohexylamine PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Cyclohexylamine

CAS #

-

108-91-8

IUPAC name

cyclohexanamine

Common name

aminocyclohexane

Common synonyms

hexahydroaniline

Empirical formula

-

C6H13N

Formula

NH2 Molecular mass

daltons

99.2

RTECS number

-

GX0700000

Chemical category

-

amine

Mixture

-

N

EC number

-

203-629-0

PHYSICAL PROPERTIES State

-

L

Odor

-

pungent

Color

-

colorless

Boiling point

o

C

134.0

Freezing point

o

C

-18.0

Refractive index at 20 C o

-

1.4370

Specific gravity

-

Specific gravity temperature

o

0.865

Vapor density

air=1

3.40

Vapor pressure

kPa

1.86

Vapor pressure temperature

o

C

20

C

20 36.14

Enthalpy of vaporization

kJ mol

Enthalpy of vaporization temperature

K

407.1

Acid dissociation constant

-

10.70

Corrosivity

-

Y

Molar volume

cm3 mol-1

115.0

Coefficients of Antoine equation

coefficient A

4.06885

-1

coefficient B

1380.225

coefficient C

-67.285

Temperature range of Antoine equation

K

333.9 to 401.5

pH

-

11.5 100 g/l aq

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Cyclohexylamine PARAMETER

UNIT

Solubility in water at 20oC

mg kg-1

good

Coefficient of thermal expansion

10-4 oC-1 (K-1)

9.75

Hansen solubility parameters, (MPa)1/2

dD

17.2

dP

3.1

dH

6.5

-

5.30

Flammability

3

Health

2

Reactivity

0

Flammability

2

Health

1

Reactivity

1

Relative permittivity

VALUE

HEALTH & SAFETY NFPA classification

HMIS classification

UN risk phrases, R

R10,R21/22,R34

US safety phrases, S

S36/37/39,S45

UN number

-

UN/NA hazard class

8(3)

UN packaging group

II

DOT class

8, II

ICAO/IATA class, packaging group

UN 2357 CYCLOHEXYLAMINE, 8 (3), II

2357

IMDG class, packaging group

UN 2357 CYCLOHEXYLAMINE, 8 (3), II

Proper shipping name

cyclohexyl amine

Autoignition temperature

o

C

293

Flash point

o

C

26.0

Flash point method

-

CC

Explosion limit, lower

wt%

1.50

Explosion limit, upper

wt%

Threshold limiting value – TWA 8h, ACGIH

mg m

41

Threshold limiting value – TWA 8h, ACGIH

ppm

10

Threshold limiting value – TWA 8h, NIOSH

mg m-3

40

Threshold limiting value – TWA 8h, NIOSH

ppm

10

9.40 -3

Animal testing, acute toxicity, Rat oral LD50

mg kg

-1

156

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

277

Route of entry

Ing, Skin, Intraperitoneal

Carcinogenicity IARC

N

Carcinogenicity NTP

N

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Cyclohexylamine PARAMETER

UNIT

Carcinogenicity OSHA

N

VALUE

ECOLOGICAL PROPERTIES Montreal protocol

-

N

Partition coefficient

logKow

1.49

USE & PERFORMANCE Manufacturer

BASF AG, Merck Schuchardt OHG

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Dibutyl amine PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Dibutyl amine

CAS #

-

111-92-2

IUPAC name

N-butylbutan-1-amine

Common name

N-butyl-1-butaneamine

Common synonyms

dibutylamine

Acronym

-

DBA

Empirical formula

-

C8H19N

Formula

CH3(CH2)3N(CH2)3CH3 H

Molecular mass

daltons

129.25

RTECS number

-

HR7780000

Chemical category

-

amine

Mixture

-

N

EC number

-

203-921-8

State

-

L

Odor

-

ammonia

Odor threshold

ppm

27.0

Color

-

colorless

Boiling point

o

C

Freezing point

o

C

Refractive index at 20oC

-

PHYSICAL PROPERTIES

159.0 -59.0 1.4150

Specific gravity

-

Specific gravity temperature

o

0.760

Vapor density

air=1

4.46

Vapor pressure

kPa

0.27

Vapor pressure temperature

o

Enthalpy of vaporization

kJ mol

Enthalpy of vaporization temperature

K

432.8

Acid dissociation constant

-

11.31

Corrosivity

-

Molar volume

cm mol

Viscosity

mPas (cP)

Viscosity temperature

o

C

25

C

20

Y 3

Solubility in water at 20 C o

38.44

-1

C

mg kg

-1

170.7 0.95 25

-1

3100

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Dibutyl amine PARAMETER

UNIT

VALUE

Coefficient of thermal expansion

10-4 oC-1 (K-1)

10.20

Hildebrand solubility parameter

(MPa)1/2

16.30

dD

15.0

dP

3.0

Hansen solubility parameters, (MPa)

1/2

dH Henry’s law constant

4.3

atm/m -mol 3

-1

1.41E-04

HEALTH & SAFETY NFPA classification

HMIS classification

UN risk phrases, R

Flammability

2

Health

3

Reactivity

0

Flammability

2

Health

2

Reactivity

1

R10,R20/21/22

US safety phrases, S

S2

UN number

-

UN/NA hazard class

8

UN packaging group

II

DOT class

8, II

ICAO/IATA class, packaging group

UN 2248 DI-N-BUTYLAMINE, 8 (3), II

2248

IMDG class, packaging group

UN 2248 DI-N-BUTYLAMINE, 8 (3), II

Proper shipping name

di-n-butylamine

Flash point

o

Flash point method

-

CC

Explosion limit, lower

wt%

1.10

Explosion limit, upper

wt%

6.10

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

220

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

1010

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

500/4H

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

C

41.0

ECOLOGICAL PROPERTIES Montreal protocol

-

N

Partition coefficient

logKow

2.83

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Dibutyl amine PARAMETER

UNIT

VALUE

USE & PERFORMANCE Manufacturer

BASF AG, Kat-Chem Ltd.

Recommended for polymers

plasticizers in PVC matrix

Recommended for products

Pesticides, corrosion inhibitor, rubber

Processing methods

chemolysis of PUR

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Diethanolamine PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Diethanolamine

CAS #

-

111-42-2

IUPAC name

2-(2-hydroxyethylamino)ethanol sulfate

Common name

bis-(beta-hydroxyethyl)-amine

Common synonyms

2,2'-iminodiethanol

Acronym

-

DEA

Empirical formula

-

C4H11NO2

Formula

HOCH2CH2NCH2CH2OH H

Molecular mass

daltons

105.14

RTECS number

-

KL2975000

Chemical category

-

amine

Mixture

-

N

EC number

-

203-868-0

State

-

S

Odor

-

mild ammonia

Color

-

colorless

Boiling point

o

C

268.8

Freezing point

o

C

28.50

PHYSICAL PROPERTIES

Refractive index at 20 C

-

1.4770

Specific gravity

-

1.090

Specific gravity temperature

o

Vapor density

air=1

3.63

Vapor pressure

kPa

0.001

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

0.33

Enthalpy of vaporization

kJ mol-1

65.23

Enthalpy of vaporization temperature

K

bp

Donor number

kcal mol-1

53.2

Acid dissociation constant

-

8.96

Corrosivity

-

Y

Molar volume

cm3 mol-1

96.2

o

C

C

25

20

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Diethanolamine PARAMETER

UNIT

VALUE

Coefficients of Antoine equation

coefficient A

5.26458

coefficient B

2328.56

coefficient C

-98.751

Temperature range of Antoine equation

K

463.9 to 582.3

pH

-

11

Viscosity

mPas (cP)

Viscosity temperature

o

Surface tension at 20oC

mN m-1

48.00

Solubility in water at 20 C

mg kg

infinite

Specific heat at 25oC

kJ K-1 mol-1

233.47

Hildebrand solubility parameter

(MPa)

21.21

o

Hansen solubility parameters, (MPa)

1/2

351

C

30 -1

1/2

dD

17.2

dP

7.0

dH Henry’s law constant

19.0

atm/m -mol 3

-1

3.87E-11

HEALTH & SAFETY NFPA classification

HMIS classification

Flammability

1

Health

1

Reactivity

0

Flammability

1

Health

2

Reactivity

1

UN risk phrases, R

R22,R48/22,R38,R41

US safety phrases, S

S26,S36/37/39,S46

UN number

-

1760

UN/NA hazard class

8

UN packaging group

III

Proper shipping name

corrosive liquid, n.o.s. (diethanolamine)

Autoignition temperature

o

C

662

Flash point

o

C

137

Flash point method

-

CC

Explosion limit, lower

wt%

1.80

Explosion limit, upper

wt%

13.49

Threshold limiting value – TWA 8h, ACGIH

mg m

2

Threshold limiting value – TWA 8h, ACGIH

ppm

0.46

Threshold limiting value – TWA 8h, OSHA

mg m-3

15

Threshold limiting value – TWA 8h, OSHA

ppm

3

-3

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Diethanolamine PARAMETER

UNIT

VALUE

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

710

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

12200

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

1.06

Biological oxygen demand, 20 days

gg

-1

1.87

Chemical oxygen demand

gg

-1

1.52

Theoretical oxygen demand

g g-1

2.13

Bioconcentration factor

-

0.05

Hydroxyl rate constant

cm3 molecule-1 s-1

2.90E-13

Montreal protocol

-

N

Partition coefficient

logKow

-1.43

Urban ozone formation potential

C2H4=1

0.01

Soil absorption constant

-

4.00

USE & PERFORMANCE Manufacturer

Fisher Chemicals, Brenntag NV, Dow, Stepan Company

Recommended for polymers

polyamide

Recommended for products

Dispersant, textile, printing inks, photographic chemical industry

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Diethylamine PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Diethylamine

CAS #

-

109-89-7

IUPAC name

N-ethylethanamine

Common name

N-ethyl ethanamine

Common synonyms

N,N-diethylamine

Acronym

-

DETAM

Empirical formula

-

C4H11N

Formula

CH3CH2NCH2CH3 H

Molecular mass

daltons

73.14

RTECS number

-

HZ8750000

Chemical category

-

amine

Mixture

-

N

EC number

-

203-716-3

State

-

L

Odor

-

pungent

Odor threshold

ppm

0.02

Color

-

colorless

Boiling point

o

C

Freezing point

o

C

Refractive index at 20oC

-

PHYSICAL PROPERTIES

55.5 -50.0 1.3820

Specific gravity

-

Specific gravity temperature

o

0.707

Vapor density

air=1

2.50

Vapor pressure

kPa

2.59

Vapor pressure temperature

o

Enthalpy of vaporization

kJ mol

Enthalpy of vaporization temperature

K

Acceptor number

-

Donor number

kcal mol

-1

Polarity parameter, ET(30)

kcal mol

-1

Acid dissociation constant

-

10.50

Corrosivity

-

Y

Molar volume

cm3 mol-1

104.1

C

20

C

20 29.06

-1

328.7 9.4 50.0 35.4

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Diethylamine PARAMETER

UNIT

VALUE

Coefficients of Antoine equation

coefficient A

2.86193

coefficient B

559.071

coefficient C

-132.974

Temperature range of Antoine equation

K

304.6 to 333.7

pH

-

13

Viscosity

mPas (cP)

Viscosity temperature

o

Solubility in water at 20oC

mg kg-1

Coefficient of thermal expansion

10

Hildebrand solubility parameter

(MPa)1/2

16.10

dD

14.9

dP

2.3

Hansen solubility parameters, (MPa)

1/2

0.29

C

25 -4 o

miscible

C (K ) -1

-1

dH

14.70

6.1

Henry’s law constant

atm/m -mol

Relative permittivity

-

3.70

Flammability

3

Health

2

Reactivity

0

Flammability

3

Health

2

Reactivity

2

3

-1

7.10E-05

HEALTH & SAFETY NFPA classification

HMIS classification

UN risk phrases, R

R11,R20/21/22,R35

US safety phrases, S

S3,S16,S26,S29,S36/37/39,S45

UN number

-

1154

UN/NA hazard class

3

UN packaging group

II

ICAO/IATA class, packaging group

UN 1154 DIETHYLAMINE, 3 (8), II

IMDG class, packaging group

UN 1154 DIETHYLAMINE, 3 (8), II

Proper shipping name

diethylamine

Autoignition temperature

o

C

Flash point

o

C

Flash point method

-

CC

Explosion limit, lower

wt%

1.80

Explosion limit, upper

wt%

Threshold limiting value – TWA 8h, ACGIH

mg m

15

Threshold limiting value – TWA 8h, ACGIH

ppm

5

312 -26.0

10.10 -3

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Diethylamine PARAMETER

UNIT

VALUE

Threshold limiting value – TWA 8h, NIOSH

mg m-3

30

Threshold limiting value – TWA 8h, NIOSH

ppm

10

Threshold limiting value – TWA 8h, OSHA

mg m-3

75

Threshold limiting value – TWA 8h, OSHA

ppm

25

Maximum exposure concentration NIOSH-IDLH

ppm

200

Maximum concentration, 15 min., ACGIH

mg m

45

Maximum concentration, 15 min., ACGIH

ppm

15

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

540

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

820

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

Route of entry

Ing, Inh, Skin

Ingestion

Harmful if swallowed. Moderate toxicity after single ingestion

Skin irritation

Highly corrosive! Damages skin

Eye irritation

Highly corrosive! Damages eyes

Inhalation

May cause respiratory irritation

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

-3

-1

4,000/4H

ECOLOGICAL PROPERTIES Biodegradation probability

rapidly biodegradable

Montreal protocol

-

N

Partition coefficient

logKow

0.58

USE & PERFORMANCE Recommended for products

Adhesives, coatings, pesticides, pharmaceuticals and rubber chemicals

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Diethylenetriamine PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Diethylenetriamine

CAS #

-

111-40-0

IUPAC name

N-(2-aminoethyl)ethane-1,2-diamine

Common name

2,2'-iminobis (ethylamine)

Common synonyms

bis(2-aminoethyl)amine

Acronym

-

DETA

Empirical formula

-

C4H13N3

Formula

H2NCH2CH2NCH2CH2NH2 NH2

Molecular mass

daltons

103.17

RTECS number

-

IE1225000

Chemical category

-

amine

Mixture

-

N

EC number

-

203-865-4

State

-

L

Color

-

yellow

Boiling point

o

C

207.0

Freezing point

o

C

-37.0

PHYSICAL PROPERTIES

Refractive index at 20 C

-

1.4826

Specific gravity

-

0.954

Specific gravity temperature

o

Vapor density

air=1

3.48

Vapor pressure

kPa

0.05

Vapor pressure temperature

o

Corrosivity

-

Y

Molar volume

cm3 mol-1

108.1

pH

-

13

Viscosity

mPas (cP)

Viscosity temperature

o

Solubility in water at 20oC

mg kg-1

infinite

Coefficient of thermal expansion

10-4 oC-1 (K-1)

8.70

Hansen solubility parameters, (MPa)1/2

dD

16.7

dP

7.1

dH

14.3

o

C

C

C

20

20

4.17 25

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Diethylenetriamine PARAMETER

UNIT

VALUE

Flammability

1

Health

3

HEALTH & SAFETY NFPA classification

HMIS classification

Reactivity

1

Flammability

1

Health

3

Reactivity

1

UN risk phrases, R

R21/22,R34,R43

US safety phrases, S

S26,S36/37/39,S45

UN number

-

UN/NA hazard class

8

2079

UN packaging group

II

ICAO/IATA class, packaging group

UN 2079 DIETHYLENETRIAMINE, 8, II

IMDG class, packaging group

UN 2079 DIETHYLENETRIAMINE, 8, II, Segregation Group: 18 (Alkalis)

Proper shipping name

diethylenetriamine

Autoignition temperature

o

C

Flash point

o

C

Flash point method

-

OC

Explosion limit, lower

wt%

4.40

Explosion limit, upper

wt%

16.70

Threshold limiting value – TWA 8h, ACGIH

mg m-3

4.2

Threshold limiting value – TWA 8h, ACGIH

ppm

1

Threshold limiting value – TWA 8h, OSHA

mg m-3

4

Threshold limiting value – TWA 8h, OSHA

ppm

1

325 102

Animal testing, acute toxicity, Rat oral LD50

mg kg

-1

1540

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

1090

Route of entry

Skin, Itraperitoneal

Skin irritation

May cause skin irritation

Eye irritation

May cause eye irritation

Inhalation

May cause eye irritation

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Montreal protocol

-

N

Partition coefficient

logKow

-2.13

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279

Diethylenetriamine PARAMETER

UNIT

VALUE

USE & PERFORMANCE Manufacturer

BASF AG, Dow, Merck Schuchardt OHG

Recommended for products

Water-born coatings, powder coatings

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280

Dimethylamine PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Dimethylamine

CAS #

-

Common name

N-methyl methanamine

Acronym

-

DMAM

Empirical formula

-

C2H7N

124-40-3

Formula

CH3NCH3 H

Molecular mass

daltons

45.1

RTECS number

-

IP8750000

Chemical category

-

amine

Mixture

-

N

EC number

-

204-697-4

State

-

G

Odor

-

ammonia  fishy

PHYSICAL PROPERTIES

Odor threshold

ppm

0.340

Color

-

colorless

Boiling point

o

C

6.9

Freezing point

o

C

-92.2

Refractive index at 20 C o

-

1.3570

Specific gravity

-

Specific gravity temperature

o

0.649

Vapor density

air=1

1.60

Vapor pressure

kPa

202.66

Vapor pressure temperature

o

Enthalpy of vaporization

kJ mol

Enthalpy of vaporization temperature

K

Corrosivity

-

Molar volume

cm mol

Kauri butanol number

-

Coefficients of Antoine equation

coefficient A

C

25

C

25 26.20

-1

bp Y 3

-1

67.3 6.83188

coefficient B

1057.2

coefficient C

212

Surface tension at 20oC

mN m-1

16.33

Solubility in water at 20 C

mg kg

1,630,000

o

-1

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281

Dimethylamine PARAMETER

UNIT

VALUE

Specific heat at 25oC

kJ K-1 mol-1

137.65

Coefficient of thermal expansion

10-4 oC-1 (K-1)

17.60

Hansen solubility parameters, (MPa)1/2

dD

15.30

dP

4.8

dH

11.20

Henry’s law constant

atm/m -mol

Relative permittivity

-

5.26

Flammability

4

Health

3

Reactivity

0

3

-1

1.77E-05

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R11,R20/22,R34,R12,R20,R37/38,R41

US safety phrases, S

S3,S16,S26,S29,S36/37/39,S45

UN number

-

1160/1032

UN/NA hazard class

3(8)

UN packaging group

II

ICAO/IATA class, packaging group

UN 1160 DIMETHYLAMINE, AQUEOUS SOLUTION, 3 (8), II

IMDG class, packaging group

UN 1160 DIMETHYLAMINE, AQUEOUS SOLUTION, 3 (8), II

Proper shipping name

aqueous solution or compressed liquefied gas

Autoignition temperature

o

C

Flash point

o

C

Flash point method

-

CC

Explosion limit, lower

wt%

2.80

Explosion limit, upper

wt%

14.40

Threshold limiting value – TWA 8h, ACGIH

mg m-3

18

Threshold limiting value – TWA 8h, ACGIH

ppm

10

Threshold limiting value – TWA 8h, NIOSH

mg m-3

18

Threshold limiting value – TWA 8h, NIOSH

ppm

10

400 -6.0

Threshold limiting value – TWA 8h, OSHA

mg m

18

Threshold limiting value – TWA 8h, OSHA

ppm

10

Maximum exposure concentration NIOSH-IDLH

mg m-3

3,740

Maximum exposure concentration NIOSH-IDLH

ppm

500

Maximum concentration, any time, ACGIH

mg m-3

9.2

Maximum concentration, any time, ACGIH

ppm

5

Maximum concentration, any time, NIOSH

ppm

10

-3

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282

Dimethylamine PARAMETER

UNIT

VALUE

Maximum concentration, any time, OSHA

mg m-3

18

Maximum concentration, any time, OSHA

ppm

10

Maximum concentration, 15 min., ACGIH

mg m-3

27.6

Maximum concentration, 15 min., ACGIH

ppm

15

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

698

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

4,540/6H

Route of entry

Inh, Ing, Con

Target organs

Lvr,Skin,Testes,RspSys

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

Mutagenic properties

Y

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

1.47

Biological oxygen demand, 20 days

g g-1

2.13

Theoretical oxygen demand

gg

2.13

-1

Bioconcentration factor

-

-0.50

Biodegradation probability

-

days-weeks

Hydroxyl rate constant

cm3 molecule-1 s-1

6.54E-11

Montreal protocol

-

N

Partition coefficient

logKow

-0.38

Urban ozone formation potential

C2H4=1

0.39

Soil absorption constant

-

2.64

UV absorption

nm

190

Manufacturer

-

BASF AG

Recommended for products

Paints, coatings, textile & leather auxiliaries

USE & PERFORMANCE

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283

Ethanolamine PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Ethanolamine

CAS #

-

141-43-5

IUPAC name

2-aminoethanol

Common name

2-hydroxylamine

Common synonyms

colamine

Acronym

-

2AMETOH

Empirical formula

-

C2H7NO

Formula

HOCH2CH2NH2

Molecular mass

daltons

61.1

RTECS number

-

KJ5775000

Chemical category

-

amine

Mixture

-

N

EC number

-

205-483-3

-

L

PHYSICAL PROPERTIES State Odor

-

ammonia-like

Odor threshold

ppm

2.60

Color

-

colorless

Boiling point

o

C

170.8

Freezing point

o

C

10.30

Refractive index at 20 C

-

1.4520

Specific gravity

-

1.013

Specific gravity temperature

o

Vapor density

air=1

2.10

Vapor pressure

kPa

0.053

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

0.02

Enthalpy of vaporization

kJ mol-1

49.63

Enthalpy of vaporization temperature

K

bp

Acceptor number

-

33.7

Polarity parameter, ET(30)

kcal mol-1

52.5

Acid dissociation constant

-

9.50

Corrosivity

-

Molar volume

cm mol

o

C

25

C

20

Y 3

-1

60.3

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284

Ethanolamine PARAMETER

UNIT

VALUE

Coefficients of Antoine equation

coefficient A

4.29252

coefficient B

1408.873

coefficient C

-116.093

Temperature range of Antoine equation

K

338.5 to 444.0

pH

-

12.1

Viscosity

mPas (cP)

Viscosity temperature

o

Surface tension at 20oC

mN m-1

48.89

Solubility in water at 20 C

mg kg

miscible

Specific heat at 25oC

kJ K-1 mol-1

127.19

Coefficient of thermal expansion

10

7.80

Hildebrand solubility parameter

(MPa)

Hansen solubility parameters, (MPa)1/2

dD

17.0

dP

15.5

o

19.37

C

25

-4 o

-1

C (K ) -1

-1

1/2

31.71

dH

21.0

Henry’s law constant

atm/m3-mol-1

4.00E-08

Relative permittivity

-

37.72

Flammability

2

Health

2

HEALTH & SAFETY NFPA classification

HMIS classification

UN risk phrases, R

Reactivity

0

Flammability

2

Health

2

Reactivity

1

R20/21/22,R34

US safety phrases, S

S1/2,S26,S36,S45

UN number

-

UN/NA hazard class

8

UN packaging group

III

DOT class

8, III

ICAO/IATA class, packaging group

UN 2491 ETHANOLAMINE, 8, III

2491

IMDG class, packaging group

UN 2491 ETHANOLAMINE, 8, III

Proper shipping name

ethanolamine

Autoignition temperature

o

C

410

Flash point

o

C

85

Flash point method

-

CC

Explosion limit, lower

wt%

3.40

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Ethanolamine PARAMETER

UNIT

VALUE

Explosion limit, upper

wt%

27.0

Threshold limiting value – TWA 8h, ACGIH

mg m-3

7.5

Threshold limiting value – TWA 8h, ACGIH

ppm

3

Threshold limiting value – TWA 8h, NIOSH

mg m-3

8

Threshold limiting value – TWA 8h, NIOSH

ppm

3

Threshold limiting value – TWA 8h, OSHA

mg m

6

Threshold limiting value – TWA 8h, OSHA

ppm

3

Maximum exposure concentration NIOSH-IDLH

mg m-3

2,540

Maximum exposure concentration NIOSH-IDLH

ppm

30

Maximum concentration, 15 min., ACGIH

mg m-3

15

Maximum concentration, 15 min., ACGIH

ppm

6

Maximum concentration, 15 min., NIOSH

mg m

Maximum concentration, 15 min., NIOSH

ppm

6

Maximum concentration, 15 min., OSHA

mg m-3

15

Maximum concentration, 15 min., OSHA

ppm

6

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

1,720

Animal testing, acute toxicity, Mouse oral LD50

mg kg

700

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

-3

-3

-1

15

1,000

Route of entry

Inh, Ing, Con, Eye

Ingestion

Harmful if swallowed. Causes gastrointestinal tract burns.

Skin irritation

Harmful if absorbed through the skin. Causes skin burns.

Eye irritation

Causes eye burns.

Inhalation

Harmful if inhaled. Causes chemical burns to the respiratory tract.

First aid: eyes

Flush with copious amounts of water for at least 15 minutes. Remove contact lenses. Protect unharmed eye. Keep eye wide open while rinsing. Call physician.

First aid: skin

Immediately flush with plenty of for at least 15 minutes while removing contaminated clothing and shoes. Get medical attention. Wash contaminated clothing before reuse. Destroy or thoroughly clean contaminated shoes.

First aid: inhalation

Move to fresh air. If not breathing give artificial respiration. If breathing is difficult, give oxygen. Get medical attention.

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Ethanolamine PARAMETER

UNIT

Target organs

Skin,Eye,RspSys

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

Mutagenic properties

N

VALUE

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

0.45

Biological oxygen demand, 20 days

g g-1

0.52

Chemical oxygen demand

gg

-1

1.28

Theoretical oxygen demand

g g-1

1.31

Bioconcentration factor

-

-1.20

Biodegradation probability

-

days-weeks

Hydroxyl rate constant

cm3 molecule-1 s-1

3.45E-11

Montreal protocol

-

N

Partition coefficient

logKow

-1.31

Urban ozone formation potential

C2H4=1

0.27

Soil absorption constant

-

-0.10

USE & PERFORMANCE Manufacturer

BASF AG, Dow, Merck Schuchardt OHG, Sigma-Aldrich

Recommended for products

detergents & cleaners, paint, coating, adhesive manufacturing

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287

Ethylamine PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Ethylamine

CAS #

-

75-04-7

IUPAC name

ethanamine

Common name

aminoethane

Acronym

-

ETAM

Empirical formula

-

C2H7N

Formula

CH3CH2NH2

Molecular mass

daltons

45.1

RTECS number

-

KH2100000

Chemical category

-

amine

EC number

-

200-834-7

Product contents

ethylamine 70% (aq. sol.)

PHYSICAL PROPERTIES State

-

G

Odor

-

ammonia-like

Odor threshold

ppm

0.95

Color

-

colorless

Boiling point

o

C

Freezing point

o

C

Refractive index at 20oC

-

1.3630

Specific gravity

-

0.700

Specific gravity temperature

o

Vapor density

air=1

1.55

Vapor pressure

kPa

0.1333

Vapor pressure temperature

o

Evaporation rate

ether=1

26.60

Enthalpy of vaporization

kJ mol-1

298.2

Acid dissociation constant

-

10.81

Corrosivity

-

Molar volume

cm mol

Coefficients of Antoine equation

coefficient A

4.53013

coefficient B

1203.822

16.6 -81.0

C

15

C

25

Y 3

-1

65.6

coefficient C

-23.716

Temperature range of Antoine equation

K

289.7 to 449.0

Surface tension at 20oC

mN m-1

19.58

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Ethylamine PARAMETER

UNIT

VALUE

Solubility in water at 20oC

mg kg-1

miscible

Heat of combustion at 25 C

MJ kg-1

Coefficient of thermal expansion

10

Hildebrand solubility parameter

(MPa)1/2

19.49

dD

15.0

dP

5.6

o

Hansen solubility parameters, (MPa)

1/2

-4 o

46.09

C (K ) -1

-1

dH

18.20

10.7

Henry’s law constant

atm/m -mol

Relative permittivity

-

6.30

Flammability

4

Health

3

Reactivity

0

Flammability

3

Health

2

Reactivity

1

3

-1

1.23E-05

HEALTH & SAFETY NFPA classification

HMIS classification

UN risk phrases, R

R12,R36/37

US safety phrases, S

S16,S26,S29

UN number

-

UN/NA hazard class

3

UN packaging group

II

ICAO/IATA class, packaging group

UN 2270 ETHYLAMINE, AQUEOUS SOLUTION, 3 (8) II

IMDG class, packaging group

UN 2270 ETHYLAMINE, AQUEOUS SOLUTION, 3 (8) II

Proper shipping name

ethylamine, aqueous solution

Autoignition temperature

o

C

385

Flash point

o

C

-17

Flash point method

-

CC

Explosion limit, lower

wt%

3.50

Explosion limit, upper

wt%

2270

14.00

Threshold limiting value – TWA 8h, ACGIH

mg m

9.2

Threshold limiting value – TWA 8h, ACGIH

ppm

5

Threshold limiting value – TWA 8h, NIOSH

mg m-3

18

Threshold limiting value – TWA 8h, NIOSH

ppm

10

Threshold limiting value – TWA 8h, OSHA

mg m-3

18

Threshold limiting value – TWA 8h, OSHA

ppm

10

Maximum exposure concentration NIOSH-IDLH

mg m-3

7480

-3

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Ethylamine PARAMETER

UNIT

VALUE

Maximum exposure concentration NIOSH-IDLH

ppm

600

Maximum concentration, any time, NIOSH

mg m-3

18

Maximum concentration, any time, NIOSH

ppm

10

Maximum concentration, any time, OSHA

mg m-3

18

Maximum concentration, any time, OSHA

ppm

10

Maximum concentration, 15 min., ACGIH

mg m

Maximum concentration, 15 min., ACGIH

ppm

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

400

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

390

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

Route of entry

Inh, Abs, Ing, Con

Ingestion

Harmful if swallowed. May cause irritation of the digestive tract.

Skin irritation

May cause skin irritation. May be harmful if absorbed through the skin.

Eye irritation

Causes eye irritation.

Inhalation

Causes respiratory tract irritation. May be harmful if inhaled.

First aid: eyes

Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.

First aid: skin

Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.

First aid: inhalation

Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.

Target organs

RspSys,Eye,Skin

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

Mutagenic properties

N

-3

27.6 15

-1

3,000/4H

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

Theoretical oxygen demand

gg

Bioconcentration factor

-

-1

1.11 2.13 -0.30

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Ethylamine PARAMETER

UNIT

VALUE

Biodegradation probability

-

days-weeks

Hydroxyl rate constant

cm3 molecule-1 s-1

2.77E-11

Montreal protocol

-

N

Partition coefficient

logKow

-0.13

Urban ozone formation potential

C2H4=1

0.36

Soil absorption constant

-

1.25

USE & PERFORMANCE Recommended for products

Helps prevent corrosion in water treatment (power plants, boilers...), metal working fluids or refineries.

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291

Ethylenediaminetetraacetic acid PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Ethylenediaminetetraacetic acid

CAS #

-

Common name

(ethylenedinitrilo)tetraacetic acid

Common synonyms

edetic acid

Acronym

-

EDTA

Empirical formula

-

C10H16N2O8

60-00-4

Formula

O

O HOCCH2 HOCCH2

NCH2CHN

CH2COH CH2COH

O

O

Molecular mass

daltons

292.28

RTECS number

-

AH4025000

Chemical category

-

amine

Mixture

-

N

EC number

-

200-449-4

Product contents

ethylenediaminetetraacetic acid >99%

PHYSICAL PROPERTIES State

-

S

Odor

-

odorless

Color

-

white

Boiling point

o

C

240.0 (decomp)

Refractive index at 20 C

-

1.6030

Specific gravity

-

0.721

Specific gravity temperature

o

Vapor density

air=1

Corrosivity

-

Molar volume

cm mol

Solubility in water at 20oC

mg kg-1

500

dD

17.5

dP

8.3

o

Hansen solubility parameters, (MPa)

C

25 10.08 Y 3

1/2

208.4

-1

dH Henry’s law constant

18.7

atm/m -mol 3

-1

1.17E-23

HEALTH & SAFETY UN risk phrases, R

R35,R52/53

US safety phrases, S

S61

UN/NA hazard class

not regulated

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Ethylenediaminetetraacetic acid PARAMETER

UNIT

VALUE

DOT class

not regulated

ICAO/IATA class, packaging group

not dangerous goods

Flash point

o

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

Route of entry

Inh, Con

Ingestion

May be harmful if swallowed.

Skin irritation

May be harmful if absorbed through skin. May cause skin irritation.

Eye irritation

Causes serious eye irritation

Inhalation

May be harmful if inhaled. May cause respiratory tract irritation.

First aid: eyes

Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the eyelids. Get medical aid

First aid: inhalation

Remove from exposure to fresh air immediately, If not breathing, give artificial respiration. Get medical aid

Target organs

Eye,Skin

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

Mutagenic properties

Y

C

325 7632

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

0.01

Theoretical oxygen demand

g g-1

0.93

Aquatic toxicity, Bluegill sunfish, 96-h LC50

mg l

34 - 62

-1

Bioconcentration factor

-

-0.20

Biodegradation probability

-

days

Hydroxyl rate constant

cm3 molecule-1 s-1

1.67E-10

Montreal protocol

-

N

Partition coefficient

logKow

-3.86

Urban ozone formation potential

C2H4=1

0.08

Soil absorption constant

-

3.02

USE & PERFORMANCE Manufacturer

BASF AG, Dow, Sigma-Aldrich, Acros Organics

Recommended for products

Chelating agent used for detergent & cleaners and industrial formulators

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

293

Isophorone diamine PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Isophorone diamine

CAS #

-

IUPAC name

3-(aminomethyl)-3,5,5-trimethyl-cyclohexan-1-amine

Common name

1-amino-3-aminomethyl-3,5,5-trimethylcyclohexane

Acronym

-

IPDA

Empirical formula

-

C10H22N2

2855-13-2

Formula

H3C

NH2

H3C

CH2NH2 H3C

Molecular mass

daltons

170.3

RTECS number

-

GV6129000

Chemical category

-

amine

Mixture

-

N

EC number

-

220-666-8

Product contents

isophorone diamine 99.7 wt%

PHYSICAL PROPERTIES State

-

L

Odor

-

characteristic

Color

-

colorless

Boiling point

o

C

252.9

Freezing point

o

C

8.0

Specific gravity

-

Specific gravity temperature

o

Vapor pressure

kPa

Vapor pressure temperature

o

Corrosivity

-

Molar volume

cm mol

Solubility in water at 20oC

mg kg-1

very good

dD

16.5

dP

4.7

dH

8.8

Hansen solubility parameters, (MPa)

0.922

C

20 20 Y 3

1/2

0.002

C -1

181.9

HEALTH & SAFETY UN risk phrases, R

R21/22,R34,R43,R52,R53

US safety phrases, S

S26,S36/37/39,S45,S61

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Isophorone diamine PARAMETER

UNIT

VALUE 2289

UN number

-

UN/NA hazard class

8

UN packaging group

III

DOT class

8, III

ICAO/IATA class, packaging group

UN 2289 ISOPHORONEDIAMINE, 8, III

IMDG class, packaging group

UN 2289 ISOPHORONEDIAMINE, 8, III

Proper shipping name

isophotonediamine

Autoignition temperature

o

C

380

Flash point

o

C

117

Explosion limit, lower

wt%

1.20

Ingestion

Harmful if swallowed

Skin irritation

Corrosive to skin

Eye irritation

Corrosive to eye

Inhalation

May cause respiratory track irritation

Target organs

Kdny (oral exposure), RspSys

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Montreal protocol

-

N

Partition coefficient

logKow

1.90

-

Evonik, BASF

USE & PERFORMANCE Manufacturer

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Isopropanol amine PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Isopropanol amine

CAS #

-

78-96-6

IUPAC name

1-aminopropan-2-ol

Common name

1-amino-2-propanol

Common synonym

monoisopropanolamine

Acronym

-

MIPA

Empirical formula

-

C3H9NO

Formula

CH3CHCH2NH2 OH

Molecular mass

daltons

75.11

RTECS number

-

UA5775000

Chemical category

-

amine

Mixture

-

N

EC number

-

201-162-7

Product contents

isopropanol amine 98%

PHYSICAL PROPERTIES State

-

L

Odor

-

ammonia

Color

-

colorless

Boiling point

o

C

159.5

Freezing point

o

C

2.0

Refractive index at 20 C o

-

1.4480

Specific gravity

-

Specific gravity temperature

o

0.960

Vapor density

air=1

2.60

Vapor pressure

kPa

0.2

Vapor pressure temperature

o

C

20

Corrosivity

-

Y

Molar volume

cm3 mol-1

79.3

Viscosity

mPas (cP)

23

Viscosity temperature

o

Solubility in water at 20oC

mg kg-1

Coefficient of thermal expansion

10

C

25

C

25 -4 o

infinite

C (K ) -1

-1

8.86

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Isopropanol amine PARAMETER

UNIT

VALUE

Hansen solubility parameters, (MPa)1/2

dD

15.8

dP

9.4

dH

20.9

Flammability

2

Health

2

Reactivity

0

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R34,R21

US safety phrases, S

S2,S23,S26,S36,S45

UN number

-

UN/NA hazard class

8

UN packaging group

II

DOT class

8, II

ICAO/IATA class, packaging group

UN 2735 AMINES, LIQUID, CORROSIVE, N.O.S. (1-AMINO-2-PROPANOL), 8, II

IMDG class, packaging group

UN 2735 AMINES, LIQUID, CORROSIVE, N.O.S. (1-AMINO-2-PROPANOL), 8, II

Proper shipping name

amines, liquid, corrosive, n.o.s. (1-amino-2-propanol

Autoignition temperature

o

C

335

Flash point

o

C

71

Flash point method

-

CC

Explosion limit, lower

wt%

1.90

Explosion limit, upper

wt%

2735

10.40

Animal testing, acute toxicity, Rat oral LD50

-1

mg kg

2,098

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

1,540

Route of entry

Intraperitoneal, Ing, Skin

Ingestion

Harmful if swallowed

Skin irritation

Causes skin irritation/corrosion

Eye irritation

Causes serious eye irritation

Target organs

Skin,Eye

Bioconcentration factor

-

N

Bioconcentration factor

-

N

Bioconcentration factor

-

N

g g-1

0.10

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

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297

Isopropanol amine PARAMETER

UNIT

VALUE

Biological oxygen demand, 20 days

g g-1

0.93

Theoretical oxygen demand

g g-1

2.02

Biodegradation probability

readily biodegradable

Montreal protocol

-

N

Partition coefficient

logKow

-0.96

USE & PERFORMANCE Recommended for products

Coatings, water-borne coatings, corrosion inhibitor

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298

Methylformamide, NPARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Methylformamide, N-

CAS #

-

123-39-7

IUPAC name

N-methylmethanamide

Common name

monomethylforamide

Common synonym

formylmethylamine

Empirical formula

-

C2H5NO

Formula

O CNCH3 HH

Molecular mass

daltons

59.07

RTECS number

-

LQ3000000

Chemical category

-

amine

Mixture

-

N

EC number

-

204-624-6

Product contents

purity 99%

PHYSICAL PROPERTIES State

-

Boiling point

o

C

L 200.0

Freezing point

o

C

-3.20

Refractive index at 20 C

-

1.4300

Specific gravity

-

0.996

Specific gravity temperature

o

Vapor pressure

kPa

Vapor pressure temperature

o

Acceptor number

-

o

C

25 0.0338

C

25 32.1

Donor number

kcal mol

-1

27.0

Polarity parameter, ET(30)

kcal mol-1

54.1

Corrosivity

-

Y

Molar volume

cm3 mol-1

59.1

Coefficients of Antoine equation

coefficient A

4.99796

Temperature range of Antoine equation

coefficient B

2134.031

coefficient C

-45.071

K

369.5 to 472.3

Viscosity

mPas (cP)

Viscosity temperature

o

Surface tension at 20oC

mN m-1

37.96

Solubility in water at 20 C

mg kg

miscible

o

C

1.9 20

-1

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Methylformamide, NPARAMETER

UNIT

VALUE

Coefficient of thermal expansion

10-4 oC-1 (K-1)

8.40

Hildebrand solubility parameter

(MPa)1/2

30.54

dD

17.4

dP

18.8

dH

15.9

Flammability

1

Health

2

Hansen solubility parameters, (MPa)

1/2

HEALTH & SAFETY NFPA classification

HMIS classification

Reactivity

0

Flammability

1

Health

2

Reactivity

0

UN risk phrases, R

R61,R21

US safety phrases, S

S53,S45

UN/NA hazard class

not regulated

DOT class

not regulated

Autoignition temperature

o

C

Flash point

o

C

111

Explosion limit, lower

wt%

3.80

Explosion limit, upper

wt%

17.80

Threshold limiting value – TWA 8h, OSHA

ppm

100

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

4,000

Animal testing, acute toxicity, Mouse oral LD50

mg kg-1

2,600

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

2,000

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

1,300/4H

Ingestion

May be harmful if swallowed. May cause irritation of the digestive tract.

Skin irritation

May cause skin irritation. Harmful if absorbed through the skin.

Eye irritation

May cause eye irritation.

Inhalation

May cause respiratory tract irritation. May be harmful if inhaled.

First aid: eyes

Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing

425

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300

Methylformamide, NPARAMETER

UNIT

First aid: skin

Wash off immediately with soap and plenty of water removing all contaminated clothes and shoes . If symptoms persist call a physician.

First aid: inhalation

Move person to fresh air. Give artificial respiration if not breathing. Call a physician immediately or poison center

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Aquatic toxicity, Daphnia magna, 48-h LC50 Aquatic toxicity Fathead minnow, 96-h LC50

mg l-1 mg l

Montreal protocol

-

N

Partition coefficient

logKow

-0.97

-1

VALUE

500 5000

USE & PERFORMANCE Recommended for products

Extraction solvent for aromatic hydrocarbons.

Processing methods

Extraction

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301

Tributylamine PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Tributylamine

CAS #

-

102-82-9

IUPAC name

N,N-dibutylbutan-1-amine

Common name

tri-n-butylamine

Acronym

-

TBA

Empirical formula

-

C12H27N

Formula

CH3(CH2)3 N

(CH2)3CH3

(CH2)3CH3

Molecular mass

daltons

185.35

RTECS number

-

YA3500000

Chemical category

-

amine

Mixture

-

N

EC number

-

203-058-7

-

L

PHYSICAL PROPERTIES State Odor

-

characteristic

Color

-

colorless

Boiling point

o

C

Freezing point

o

C

Refractive index at 20oC

-

208.0 -90.0 1.4280

Specific gravity

-

Specific gravity temperature

o

0.778

Vapor density

air=1

6.40

Vapor pressure

kPa

0.0387

Vapor pressure temperature

o

Donor number

kcal mol

-1

Polarity parameter, ET(30)

kcal mol

-1

Corrosivity

-

Y

Molar volume

cm3 mol-1

240.6

Viscosity

mPas (cP)

Viscosity temperature

o

Surface tension at 20oC

mN m-1

Solubility in water at 20oC

mg kg-1

Coefficient of thermal expansion

10

Hildebrand solubility parameter

(MPa)

C

20

C

25 50.0 32.1

1.31

C

25

-4 o

24.9 140

C (K ) -1

1/2

-1

8.90 15.50

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Tributylamine PARAMETER

UNIT

VALUE

Hansen solubility parameters, (MPa)1/2

dD

15.9

dP

2.5

Henry’s law constant

dH

3.0

atm/m3-mol-1

1.60E-04

Flammability

2

Health

3

Reactivity

0

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R22,R23/24,R38,R51/53

US safety phrases, S

S36/37,S45,S61

UN number

-

2542

UN/NA hazard class

6.1

UN packaging group

II

DOT class

6.1, II

ICAO/IATA class, packaging group

UN 2542 TRIBUTYLAMINE, 6.1, II

IMDG class, packaging group

UN 2542 TRIBUTYLAMINE, 6.1, II

Proper shipping name

tributylamine

Autoignition temperature

o

C

210

Flash point

o

C

75

Flash point method

-

OC

Explosion limit, lower

wt%

1.40

Explosion limit, upper

wt%

6.00

Animal testing, acute toxicity, Rat oral LD50

-1

mg kg

540

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

250

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

75/4H

Route of entry

Con

Ingestion

Harmful if swallowed.

Skin irritation

Irritating to skin.

Eye irritation

May cause eye irritation.

Inhalation

Toxic by inhalation causes burning sensation, cough, shortness of breath.

First aid: eyes

Flush thoroughly with water. If irritation occurs, get medical assistance.

First aid: skin

Wash contact areas with soap and water. Remove contaminated clothing. Launder contaminated clothing before reuse

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Tributylamine PARAMETER

UNIT

VALUE

First aid: inhalation

Remove to fresh air. Respiratory support. Call for prompt medical attention.

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Montreal protocol

-

N

Partition coefficient

logKow

4.46

USE & PERFORMANCE Recommended for products

Solvent, chemical intermediate

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304

Triethanolamine PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Triethanolamine

CAS #

-

102-71-6

IUPAC name

2,2',2"-nitrilotriethanol

Common name

trihydroxytriethylamine

Common synonym

tris(2-hydroxyethyl)amine

Acronym

-

TEA

Empirical formula

-

C6H15NO3

Formula

HOCH2CH2 N CH2CH2OH CH2CH2OH

Molecular mass

daltons

149.19

RTECS number

-

KL9275000

Chemical category

-

amine

Mixture

-

N

EC number

-

203-049-8

Product contents

Triethanolamine >99 wt%

PHYSICAL PROPERTIES State

-

L

Odor

-

characteristic

Color

-

colorless

Boiling point

o

C

335.4

Freezing point

o

C

21.60

Refractive index at 20 C

-

1.4852

Specific gravity

-

1.126

Specific gravity temperature

o

Vapor density

air=1

5.10

Vapor pressure

kPa

0.0001333

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

0.01

Enthalpy of vaporization

kJ mol-1

67.48

Enthalpy of vaporization temperature

K

bp

Polarity parameter, ET(30)

kcal mol-1

53.6

Corrosivity

-

Y

Molar volume

cm mol

o

C

20

C

20

3

-1

133.0

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Triethanolamine PARAMETER

UNIT

VALUE

Coefficients of Antoine equation

coefficient A

7.19251

coefficient B

4543.902

coefficient C

24.749

Temperature range of Antoine equation

K

525.8 to 578.7

Viscosity

mPas (cP)

921

Viscosity temperature

o

Surface tension at 20oC

mN m-1

Solubility in water at 20 C

mg kg

Specific heat at 25 C

kJ K mol

Coefficient of thermal expansion

10-4 oC-1 (K-1)

5.26

Hildebrand solubility parameter

(MPa)1/2

27.33

dD

17.3

dP

7.6

o

o

Hansen solubility parameters, (MPa)

C

20

-1

1/2

45.24 infinite

-1

310.03

-1

dH

21.0

Henry’s law constant

atm/m -mol

Relative permittivity

-

29.36

Flammability

1

Health

2

Reactivity

0

Flammability

1

Health

1

Reactivity

0

3

-1

3.38E-19

HEALTH & SAFETY NFPA classification

HMIS classification

UN/NA hazard class

not regulated

DOT class

not regulated

Autoignition temperature

o

C

324

Flash point

o

C

208

Flash point method

-

PMCC

Explosion limit, lower

wt%

1.20

Explosion limit, upper

wt%

Threshold limiting value – TWA 8h, ACGIH

mg m

8.50 -3

5

Animal testing, acute toxicity, Rat oral LD50

mg kg

-1

8,000

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

2,000

Route of entry

Inh, Con, Ing

Ingestion

May cause irritation of the digestive tract.

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Triethanolamine PARAMETER

UNIT

VALUE

Skin irritation

May cause skin irritation. May cause sensitization or an allergic skin reaction.

Eye irritation

May cause eye irritation.

Inhalation

May cause respiratory tract irritation.

First aid: eyes

Flush immediately thoroughly with water for several minutes. Remove contact lenses, if present. If irritation persists, get medical attention.

First aid: skin

Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Get medical attention.

First aid: inhalation

Remove to fresh air. Respiratory support. Call for prompt medical attention.

Target organs

Lymph,Lvr,Kdny

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

0.84

Biological oxygen demand, 20 days

gg

-1

0.80

Chemical oxygen demand

gg

-1

1.53

Theoretical oxygen demand

g g-1

1.61

Aquatic toxicity, Daphnia magna, 48-h LC50

mg l

2,038/24H

-1

Bioconcentration factor

-

-2.10

Biodegradation probability

-

days-weeks

Hydroxyl rate constant

cm3 molecule-1 s-1

1.04E-10

Montreal protocol

-

N

Partition coefficient

logKow

-1.00

Urban ozone formation potential

C2H4=1

0.14

Soil absorption constant

-

-1.70

USE & PERFORMANCE Recommended for products

Detergents, personal products, textile finishing. Intermediates in concrete additives, adhesives, rubber, photographic chemicals

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Triisopropanolamine PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Triisopropanolamine

CAS #

-

Common name

1,1',1''-nitrilotri-2-propanol

Common synonym

tris(2-hydroxypropyl)amine

Acronym

-

TIPA

Empirical formula

-

C9H21NO3

122-20-3

Formula

OH CH3CHCH2 N CH2CHCH3 OH

CH2CHCH3 OH

Molecular mass

daltons

191.27

RTECS number

-

UB8750000

Chemical category

-

amine

Mixture

-

N

EC number

-

204-528-4

Product contents

Triisopropanolamine 99 wt%

PHYSICAL PROPERTIES State

-

S

Color

-

white

Boiling point

o

C

306.0

Freezing point

o

C

45.0

Specific gravity

-

Specific gravity temperature

o

Vapor pressure

kPa

Vapor pressure temperature

o

Corrosivity

-

Y

Molar volume

cm3 mol-1

183.0

dD

16.4

dP

7.8

dH

19.7

Flammability

1

Health

2

Reactivity

0

Hansen solubility parameters, (MPa)

1/2

C C

0.988 25 0.0005 60

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R36,R52/53

US safety phrases, S

S26,S61

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Triisopropanolamine PARAMETER

UNIT

UN/NA hazard class

not regulated

DOT class

not regulated

Flash point

o

Flash point method

-

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

4730

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

10000

Route of entry

Con

Ingestion

Swallowing large amounts may cause injury

Skin irritation

Prolonged contact may cause irritation & dermatitis.

Eye irritation

Irritating to eyes.

Inhalation

Vapor from heated material may cause respiratory tract irritation.

First aid: eyes

Flush immediately thoroughly with water for several minutes. Remove contact lenses, if present. If irritation persists, get medical attention.

First aid: skin

Immediately get medical attention. Flush skin with plenty of water for at least 15 min.

First aid: inhalation

Remove to fresh air.

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

C

VALUE

160 OC -1

ECOLOGICAL PROPERTIES Montreal protocol

-

N

Partition coefficient

logKow

-1.22

USE & PERFORMANCE Recommended for products

Water-based coating, used in allpurpose cleaners, dishwashing liquids, textile finishing, personal-care products.

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3.7 Aromatic hydrocarbons Benzene PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Benzene

CAS #

-

71-43-2

IUPAC name

benzene

Common name

cyclohexatriene

Empirical formula

-

C6H6

Molecular mass

daltons

78.12

RTECS number

-

CY1400000

Chemical category

aromatic hydrocarbon

Formula

Mixture

-

N

EC number

-

200-753-7

Properties

water <300 ppm, bromine <0.01 g Br/100 g

Product contents

assay >99.9 wt%, toluene <100 ppm, non-aromatics <300 ppm, sulfur <5 ppm

PHYSICAL PROPERTIES State

-

L

Odor

-

aromatic

Odor threshold

ppm

12.0

Color

-

colorless

Boiling point

o

C

80.1

Freezing point

o

C

5.53

Refractive index at 20 C o

-

1.4970

Specific gravity

-

Specific gravity temperature

o

0.873

Vapor density

air=1

2.80

Vapor pressure

kPa

12.69

Vapor pressure temperature

o

Enthalpy of vaporization

kJ mol

Enthalpy of vaporization temperature

K

353.3

Evaporation rate

butyl acetate=1

5.10

Acceptor number

-

8.2

Donor number

kcal mol-1

0.1

Polarity parameter, ET(30)

kcal mol

34.3

C

25

C

25 30.72

-1

-1

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3.7 Aromatic hydrocarbons Benzene PARAMETER

UNIT

VALUE

Corrosivity

-

N

Molar volume

cm3 mol-1

89.5

Kauri butanol number

-

112

Coefficients of Antoine equation

coefficient A

4.01814

coefficient B

1203.835

coefficient C

-53.226

K

287.7 to 354.1

Viscosity

mPas (cP)

0.60

Temperature range of Antoine equation

C

25

Viscosity temperature

o

Surface tension at 20oC

mN m-1

28.20

Solubility in water at 20 C

mg kg

-1

1790

Heat of combustion at 25 C

MJ kg

-1

45.91

Specific heat at 25oC

kJ K-1 mol-1

Coefficient of thermal expansion

10

Hildebrand solubility parameter

(MPa)

Hansen solubility parameters, (MPa)1/2

dD

18.4

dP

0.0

o

o

-4 o

135.73

C (K ) -1

-1

11.40 18.76

1/2

dH

2.0

Henry’s law constant

atm/m -mol

Relative permittivity

-

2.27

Flammability

3

Health

2

Reactivity

0

Flammability

3

Health

2

Reactivity

0

3

-1

5.55E-03

HEALTH & SAFETY NFPA classification

HMIS classification

UN risk phrases, R

R11,R45,R46,R36/38,R48/23/24/25,R65

US safety phrases, S

S53,S45

UN number

-

UN/NA hazard class

3

UN packaging group

II

DOT class

UN 1114 Benzene, 3, II

ICAO/IATA class, packaging group

UN 1114 Benzene, 3, II

IMDG class, packaging group

UN 1114 Benzene, 3, II

Proper shipping name

benzene

Autoignition temperature

o

C

1114

498

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3.7 Aromatic hydrocarbons Benzene PARAMETER

UNIT

Flash point

o

Flash point method

-

TCC

Explosion limit, lower

wt%

1.30

Explosion limit, upper

wt%

7.90

Threshold limiting value – TWA 8h, ACGIH

ppm

C

VALUE -11.0

0.5

Threshold limiting value – TWA 8h, NIOSH

mg m

0.325

Threshold limiting value – TWA 8h, NIOSH

ppm

0.1

Threshold limiting value – TWA 8h, OSHA

ppm

-3

5

Maximum exposure concentration NIOSH-IDLH

mg m

9,750

Maximum exposure concentration NIOSH-IDLH

ppm

500

Maximum concentration, any time, OSHA

ppm

Maximum concentration, 15 min., NIOSH

mg m

Maximum concentration, 15 min., NIOSH

ppm

Maximum concentration, 15 min., OSHA

ppm

Animal testing, acute toxicity, Rat oral LD50

mg kg

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

8,263

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

10,000/7H

-3

25 -3

3.3 1 0.5

-1

930

Route of entry

Inh, Abs, Ing, Con

Ingestion

May be harmful if swallowed. Aspiration hazard if swallowed - can enter lungs and cause damage

Skin irritation

May be harmful if absorbed through skin. Causes skin irritation

Eye irritation

Causes eye irritation

Inhalation

May be harmful if inhaled. Causes respiratory tract irritation

First aid: eyes

Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids

First aid: skin

Remove contaminated clothing and wash exposed area thoroughly with soap and water

First aid: inhalation

Move person to fresh air. If cough or difficulty breathing develops administer oxygen and assist ventilation

Chronic effects

Confirmed human carcinogen, leukemia. Danger of cutaneous absorption

Target organs

Bld,CNS,Skin,Bnmrw,Eye,RspSys

Carcinogenicity IARC

1

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3.7 Aromatic hydrocarbons Benzene PARAMETER

UNIT

Carcinogenicity NTP

K

Carcinogenicity OSHA

Z

Mutagenic properties

Y

VALUE

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

1.65

Chemical oxygen demand

gg

-1

2.15

Theoretical oxygen demand

gg

-1

3.08

Aquatic toxicity, Bluegill sunfish, 96-h LC50

mg l-1

230

Aquatic toxicity Fathead minnow, 96-h LC50

mg l

15 to 32

Aquatic toxicity, Rainbow trout, 96-h LC50

mg l-1

5.9

Bioconcentration factor

-

1.0

Biodegradation probability

-

weeks

Hydroxyl rate constant

cm3 molecule-1 s-1

1.23E-12

Montreal protocol

-

N

-1

Partition coefficient

logKow

2.13

Urban ozone formation potential

C2H4=1

0.03

Soil absorption constant

-

1.69

UV absorption

nm

<200 (H2O)

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Cumene PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Cumene

CAS #

-

98-82-8

IUPAC name

cumene

Common name

isopropylbenzene

Common synonym

1-methylethyl benzene

Empirical formula

-

C9H12

Molecular mass

daltons

120.19

RTECS number

-

GR8575000

Chemical category

aromatic hydrocarbon

Mixture

-

N

EC number

-

202-704-5

Product contents

cumene 99.9%

Formula

PHYSICAL PROPERTIES State

-

L

Odor

-

aromatic

Odor threshold

ppm

0.012

Color

-

colorless

Boiling point

o

C

152

Freezing point

o

C

-96

Refractive index at 20 C o

-

1.489

Specific gravity

-

Specific gravity temperature

o

1.04

Vapor pressure

kPa

Vapor pressure temperature

o

Donor number

kcal mol-1

Polarity parameter, ET(30)

kcal mol

Corrosivity

-

N

Molar volume

cm3 mol-1

139.9

Coefficients of Antoine equation

coefficient A

4.05419

coefficient B

1455.811

coefficient C

-65.948

Temperature range of Antoine equation

K

343.2 to 426.5

Viscosity

mPas (cP)

0.79

C

20 0.496

C

20 -1

6.0 34.8

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314

Cumene PARAMETER

UNIT

VALUE

Viscosity temperature

o

Surface tension at 20 C

mN m-1

28.2

Solubility in water at 20 C

mg kg

50

Heat of combustion at 25oC

MJ kg-1

Coefficient of thermal expansion

10

Hildebrand solubility parameter

(MPa)

Hansen solubility parameters, (MPa)1/2

dD

18.1

dP

1.2

o

o

Henry’s law constant

C

20

-4 o

-1

46.16

C (K ) -1

-1

1/2

9.7 17.28

dH

1.2

atm/m3-mol-1

1.15E-02

Flammability

3

Health

2

Reactivity

1

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R10,R65,R37,R51,R53

US safety phrases, S

S24,S37,S61,S62

UN number

-

1918

UN/NA hazard class

3

UN packaging group

III

DOT class

3, III

ICAO/IATA class, packaging group

UN 1918 ISOPROPYLBENZENE, 3, III

IMDG class, packaging group

UN 1918 ISOPROPYLBENZENE, 3, III

Proper shipping name

isopropylbenzene

Autoignition temperature

o

C

420

Flash point

o

C

31

Flash point method

-

CC

Explosion limit, lower

wt%

0.8

Explosion limit, upper

wt%

6.0

Threshold limiting value – TWA 8h, ACGIH

mg m

245

Threshold limiting value – TWA 8h, ACGIH

ppm

50

Threshold limiting value – TWA 8h, NIOSH

mg m-3

245

Threshold limiting value – TWA 8h, NIOSH

ppm

50

Threshold limiting value – TWA 8h, OSHA

mg m-3

245

Threshold limiting value – TWA 8h, OSHA

ppm

50

Maximum exposure concentration NIOSH-IDLH

ppm

900

Maximum concentration, any time, ACGIH

ppm

Maximum concentration, any time, NIOSH

mg m

-3

50 -3

245

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315

Cumene PARAMETER

UNIT

VALUE

Maximum concentration, any time, NIOSH

ppm

50

Maximum concentration, any time, OSHA

mg m-3

245

Maximum concentration, any time, OSHA

ppm

50

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

1,400-2,910

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

10,578

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

-1

8,000/4H

Route of entry

Inh, Skin Eye

Ingestion

May be fatal if swallowed and enters airways. If swallowed call POISON CENTER

Skin irritation

Causes skin irritation. Can be absorbed trough the skin

Eye irritation

Causes serious eye irritation

Inhalation

May cause respiratory irritation

First aid: eyes

Immediately flush eye(s) with plenty of water. Remove contact lenses

First aid: skin

Flush skin with water until all chemical is removed. Remove clothing contaminated with liquid and wash before reuse

First aid: inhalation

Remove victim to fresh air. If breathing stops provide artificial respiration. If breathing is difficult, give oxygen. Call medical attention

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Aquatic toxicity, Daphnia magna, 48-h LC50 Aquatic toxicity, Daphnia magna, 24-h LC50 Aquatic toxicity, Rainbow trout, 96-h LC50

mg l-1

20,300

mg l

1,400-95,000

-1

mg l-1

2,700

Biodegradation probability

-

86% 28 days

Montreal protocol

-

N

Partition coefficient

logKow

3.55

Manufacturer

-

DOW

Recommended for products

Intermediate, industrial, thinner in paints, lacquers, and enamels, high octane fuel

USE & PERFORMANCE

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316

Ethylbenzene PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Ethylbenzene

CAS #

-

100-41-4

IUPAC name

ethylbenzene

Common name

ethylbenzol

Common synonym

phenylethane

Acronym

-

ETBZ

Empirical formula

-

C8H10

Formula

CH2CH3 Molecular mass

daltons

106.18

RTECS number

-

DA0700000

Chemical category

aromatic hydrocarbon

Mixture

-

N

EC number

-

202-849-4

Product contents

ethylbenzene >99 wt%

PHYSICAL PROPERTIES State

-

L

Odor

-

aromatic

Odor threshold

ppm

2.30

Color

-

colorless

Boiling point

o

C

136.2

Freezing point

o

C

-94.98

Refractive index at 20 C o

-

1.4930

Specific gravity

-

Specific gravity temperature

o

0.863

Vapor density

air=1

3.70

Vapor pressure

kPa

1.28

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

C

25

C

25 0.89 42.25

Enthalpy of vaporization

kJ mol

Enthalpy of vaporization temperature

K

Donor number

kcal mol-1

Polarity parameter, ET(30)

kcal mol

Corrosivity

-

-1

298.2 -1

6.0 34.1 N

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317

Ethylbenzene PARAMETER

UNIT

VALUE

Molar volume

cm3 mol-1

122.8

Kauri butanol number

-

96

Coefficients of Antoine equation

coefficient A

4.07488

coefficient B

1419.315

coefficient C

-60.539

Temperature range of Antoine equation

K

329.7 to 410.3

Viscosity

mPas (cP)

0.6373

Viscosity temperature

o

C

25

Surface tension at 20 C

mN m

Solubility in water at 20oC

mg kg-1

Specific heat at 25 C

kJ K mol

Coefficient of thermal expansion

10

Hildebrand solubility parameter

(MPa)1/2

17.98

dD

17.8

dP

0.6

o

o

Hansen solubility parameters, (MPa)

-1

1/2

-4 o

28.48

-1

169 185.56

-1

C (K ) -1

-1

dH

10.10

1.4

Henry’s law constant

atm/m -mol

Relative permittivity

-

2.04

Flammability

3

Health

2

Reactivity

0

Flammability

3

Health

1

Reactivity

1

3

-1

7.88E-03

HEALTH & SAFETY NFPA classification

HMIS classification

UN risk phrases, R

R11,R20

US safety phrases, S

S16,S24/25,S29

UN number

-

1175

UN/NA hazard class

3

UN packaging group

II

DOT class

3, II

ICAO/IATA class, packaging group

UN 1175 ETHYLBENZENE, 3, II

IMDG class, packaging group

UN 1175 ETHYLBENZENE, 3, II

Proper shipping name

ethylbenzene

Autoignition temperature

o

C

432

Flash point

o

C

18.0

Flash point method

-

TCC

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318

Ethylbenzene PARAMETER

UNIT

VALUE

Explosion limit, lower

wt%

1.0

Explosion limit, upper

wt%

6.7

Threshold limiting value – TWA 8h, ACGIH

mg m

434

Threshold limiting value – TWA 8h, ACGIH

ppm

100

Threshold limiting value – TWA 8h, NIOSH

mg m-3

435

Threshold limiting value – TWA 8h, NIOSH

ppm

100

Threshold limiting value – TWA 8h, OSHA

mg m-3

435

Threshold limiting value – TWA 8h, OSHA

ppm

100

-3

8,820

Maximum exposure concentration NIOSH-IDLH

mg m

Maximum exposure concentration NIOSH-IDLH

ppm

800

Maximum concentration, 15 min., ACGIH

mg m-3

543

Maximum concentration, 15 min., ACGIH

ppm

125

Maximum concentration, 15 min., NIOSH

mg m-3

545

Maximum concentration, 15 min., NIOSH

ppm

125

Maximum concentration, 15 min., OSHA

mg m

Maximum concentration, 15 min., OSHA

ppm

125

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

3,500

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

17,800

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

4,000/4H

Route of entry

Inh, Ing, Con

Ingestion

May be fatal if swallowed

Skin irritation

Causes skin irritation

Eye irritation

Causes serious eye irritation

Inhalation

Harmful if inhaled

First aid: eyes

Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.

First aid: skin

Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.

First aid: inhalation

Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.

Target organs

Eye,upRspSys,Skin,CNS,Lvr,Kdny

Carcinogenicity IARC

N

Carcinogenicity NTP

N

-3

545

-3

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319

Ethylbenzene PARAMETER

UNIT

Carcinogenicity OSHA

N

Mutagenic properties

Y

VALUE

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

0.92

Theoretical oxygen demand

g g-1

3.17

Bioconcentration factor

-

1.18

Biodegradation probability

-

days-weeks

Hydroxyl rate constant

cm3 molecule-1 s-1

7.10E-12

Montreal protocol

-

N

Partition coefficient

logKow

3.60

Urban ozone formation potential

C2H4=1

0.23

Soil absorption constant

-

2.40

UV absorption

nm

269.5, 261, 255 (MeOH)

USE & PERFORMANCE Recommended for products

Industrial process solvent

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320

Isodurene PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Isodurene

CAS #

-

527-53-7

IUPAC name

1,2,3,5-tetramethylbenzene

Common name

tetramethylbenzene, 1,2.3,5-

Common synonym

benzene, 1,2,3,5-tetramethyl-

Empirical formula

-

C10H14

Molecular mass

daltons

134.222

Chemical category

aromatic hydrocarbons

EC number

-

Product contents

95-100 wt%

Formula

208-417-1

PHYSICAL PROPERTIES State

-

L

Odor threshold

ppm

camphor-like

Color

-

pale yellow to white

Boiling point

o

C

197.9

Freezing point

o

C

-23.7

Specific gravity

-

Specific gravity temperature

o

Vapor density

air=1

4.63

Coefficients of Antoine equation

coefficient A

3.71768

coefficient B

1334.012

coefficient C

-111.909

K

313.8 - 471.1

Flammability

2

Health

1

Reactivity

0

Flammability

2

Health

1

Reactivity

0

Temperature range of Antoine equation

C

0.891 20

HEALTH & SAFETY NFPA classification

HMIS classification

Autoignition temperature

o

C

427

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Isodurene PARAMETER

UNIT

Flash point

o

Flash point method

-

USCG

Explosion limit, lower

wt%

0.8

Explosion limit, upper

wt%

Animal testing, acute toxicity, Rat oral LD50

mg kg

Route of entry

Inh, Eye, Ing

C

VALUE 63

7.7 -1

5,157

ECOLOGICAL PROPERTIES Montreal protocol

-

N

Partition coefficient

logKow

4.1

USE & PERFORMANCE Recommended for products

solvent

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322

Mesitylene PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Mesitylene

CAS #

-

108-67-8

IUPAC name

1,3,5-trimethylbenzene

Empirical formula

-

C9H12

Molecular mass

daltons

120.2 OX6825000

Formula

RTECS number

-

Chemical category

aromatic hydrocarbon

Mixture

-

N

EC number

-

203-604-4

Product contents

1,3,5-trimethylbenzene 90-100%

PHYSICAL PROPERTIES State

-

L

Odor

-

characteristic

Color

-

colorless

Boiling point

o

C

165.0

Freezing point

o

C

-45.0

Refractive index at 20 C o

-

1.4970

Specific gravity

-

Specific gravity temperature

o

0.864

Vapor density

air=1

1.01

Vapor pressure

kPa

0.248

Vapor pressure temperature

o

C

20

C

20

Donor number

kcal mol

-1

10.0

Polarity parameter, ET(30)

kcal mol-1

32.9

Corrosivity

-

N

Molar volume

cm mol

Coefficients of Antoine equation

coefficient A

4.19927

coefficient B

1569.622

3

-1

139.5

coefficient C

-63.572

K

354.6 to 438.9

Viscosity

mPas (cP)

1.039

Viscosity temperature

o

Solubility in water at 20oC

mg kg-1

Temperature range of Antoine equation

C

25 48

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Mesitylene PARAMETER

UNIT

VALUE

Heat of combustion at 25oC

MJ kg-1

46.16

Coefficient of thermal expansion

10-4 oC-1 (K-1)

9.34

Hildebrand solubility parameter

(MPa)1/2

17.77

Hansen solubility parameters, (MPa)1/2

dD

18.0

dP

6.0

dH

0.6

Henry’s law constant

atm/m3-mol-1

8.12E-03

Relative permittivity

-

2.40

Flammability

2

Health

1

Reactivity

0

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R10,R37,R51,R53

US safety phrases, S

S2,S61

UN number

-

UN/NA hazard class

3

UN packaging group

III

DOT class

UN 2325 1,3,5-TRIMETHYLBENZENE, 3, III

ICAO/IATA class, packaging group

UN 2325 1,3,5-TRIMETHYLBENZENE, 3, III

IMDG class, packaging group

UN 2325 1,3,5-TRIMETHYLBENZENE, 3, III

Proper shipping name

1,3,5-trimethylbenzene

Autoignition temperature

o

C

550

Flash point

o

C

44

Flash point method

-

CC

Explosion limit, lower

wt%

0.90

Explosion limit, upper

wt%

5.20

Threshold limiting value – TWA 8h, ACGIH

mg m-3

125

Threshold limiting value – TWA 8h, ACGIH

ppm

25

Threshold limiting value – TWA 8h, OSHA

ppm

25

Animal testing, acute toxicity, Rat inhalation, LC50

mg m-3

24/4H

Ingestion

May cause risk of chemical pneumonia from droplets entering lungs.

Skin irritation

Causes irritation to skin. Symptoms include redness, itching, and pain.

2325

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Mesitylene PARAMETER

UNIT

VALUE

Eye irritation

Liquid and vapor causes irritation, redness, and pain

Inhalation

Inhalation of vapors irritates the respiratory tract. May cause sore throat, coughing, headache and nausea.

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

0.10

Chemical oxygen demand

g g-1

0.32

Theoretical oxygen demand

gg

3.19

Montreal protocol

-

N

Partition coefficient

logKow

3.42

-1

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Propyl benzene PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Propyl benzene

CAS #

-

103-65-1

IUPAC name

propylbenzene

Common name

isocumene

Common synonym

1-phenylpropane

Empirical formula

-

C9H12

Molecular mass

daltons

120.19

RTECS number

-

DA8750000

Chemical category

aromatic hydrocarbon

Mixture

-

N

EC number

-

203-132-9

State

-

L

Color

-

colorless

Boiling point

o

C

159

Freezing point

o

C

-99

Formula

PHYSICAL PROPERTIES

Refractive index at 20 C o

-

1.4912

Specific gravity

-

Specific gravity temperature

o

Vapor density

air=1

4.14

Vapor pressure

kPa

1.33

Vapor pressure temperature

o

Corrosivity

-

N

Molar volume

cm3 mol-1

139.8

Coefficients of Antoine equation

coefficient A

4.07584

Temperature range of Antoine equation

0.852

C

25

C

43

coefficient B

1490.963

coefficient C

-66

K

349.0 to 433.4

Viscosity

mPas (cP)

Viscosity temperature

o

Solubility in water at 20oC

mg kg-1

Heat of combustion at 25oC

MJ kg-1

Coefficient of thermal expansion

10

0.783

C

25

-4 o

93 46.16

C (K ) -1

-1

9.8

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Propyl benzene PARAMETER

UNIT

VALUE

Hansen solubility parameters, (MPa)1/2

dD

17.9

dP

3.3

dH

3.0

Henry’s law constant

atm/m3-mol-1

5.80E-03

Relative permittivity

-

2.40

Flammability

3

Health

2

Reactivity

0

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R10,R65,R37,R51,R53

US safety phrases, S

S24,S37,S61,S62

UN number

-

UN/NA hazard class

3

UN packaging group

III

2364

DOT class

3, III

ICAO/IATA class, packaging group

UN 2364 PROPYLBENZENE, 3, III

IMDG class, packaging group

UN 2364 PROPYLBENZENE, 3, III

Proper shipping name

propylbenzene

Autoignition temperature

o

C

450

Flash point

o

C

30

Flash point method

-

CC

Explosion limit, lower

wt%

0.8

Explosion limit, upper

wt%

6.0

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

6,040

Ingestion

May be fatal if swallowed and enters airways.

Inhalation

May cause respiratory irritation.

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Montreal protocol

-

N

Partition coefficient

logKow

3.69

Manufacturer

-

Capot Chemical

Recommended for products

fuels, intermediates, solvents

USE & PERFORMANCE

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Styrene PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Styrene

CAS #

-

100-42-5

IUPAC name

styrene

Common name

ethenyl benzene

Common synonym

vinyl benzene

Empirical formula

-

C8H8

Formula

CH CH2

Molecular mass

daltons

104.15 WL3675000

RTECS number

-

Chemical category

aromatic hydrocarbon

Mixture

-

N

EC number

-

202-851-5

Product contents

styrene 100.00 wt%

PHYSICAL PROPERTIES State

-

L

Odor

-

penetrating

Color

-

colorless

Boiling point

o

C

145.0

Freezing point

o

C

-30.60

Refractive index at 20 C o

-

1.5460

Specific gravity

-

Specific gravity temperature

o

0.900

Vapor density

air=1

3.60

Vapor pressure

kPa

0.7

Vapor pressure temperature

o

C

25

C

20 5.0

Donor number

kcal mol

Polarity parameter, ET(30)

kcal mol-1

34.8

Corrosivity

-

N

Molar volume

cm mol

Coefficients of Antoine equation

coefficient A

4.21948

coefficient B

1525.059

3

-1

-1

115.7

coefficient C

-56.379

Temperature range of Antoine equation

K

303.1 to 417.9

Viscosity

mPas (cP)

0.696

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Styrene PARAMETER

UNIT

Viscosity temperature

o

VALUE

C

25

Solubility in water at 20 C

mg kg-1

Heat of combustion at 25 C

MJ kg

Coefficient of thermal expansion

10-4 oC-1 (K-1)

9.14

Hildebrand solubility parameter

(MPa)1/2

18.55

dD

18.6

dP

1.0

o

o

Hansen solubility parameters, (MPa)

1/2

300 45.58

-1

dH Henry’s law constant

4.1

atm/m -mol 3

-1

2.75E-03

HEALTH & SAFETY NFPA classification

HMIS classification

UN risk phrases, R

Flammability

3

Health

2

Reactivity

2

Flammability

3

Health

2

Reactivity

2

R10,R20,R36/38

US safety phrases, S

S2,S23

UN number

-

UN/NA hazard class

3

UN packaging group

III

DOT class

UN 20155 styrene monomer, stabilized, 3, III

ICAO/IATA class, packaging group

UN 2055 STYRENE MONOMER, STABILIZED, 3, III

IMDG class, packaging group

UN 2055 STYRENE MONOMER, STABILIZED, 3, III, (Marine pollutant)

Proper shipping name

styrene monomer, stabilized

Autoignition temperature

o

C

490

Flash point

o

C

31.0

Flash point method

-

CC

Explosion limit, lower

wt%

0.90

Explosion limit, upper

wt%

Threshold limiting value – TWA 8h, ACGIH

mg m

213

Threshold limiting value – TWA 8h, ACGIH

ppm

50

Threshold limiting value – TWA 8h, NIOSH

mg m-3

215

Threshold limiting value – TWA 8h, NIOSH

ppm

50

Threshold limiting value – TWA 8h, OSHA

ppm

100

2055

6.80 -3

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Styrene PARAMETER

UNIT

VALUE

Maximum exposure concentration NIOSH-IDLH

ppm

700

Maximum concentration, any time, ACGIH

ppm

20

Maximum concentration, any time, OSHA

ppm

100

Maximum concentration, 15 min., ACGIH

mg m-3

426

Maximum concentration, 15 min., ACGIH

ppm

100

Maximum concentration, 15 min., NIOSH

mg m

Maximum concentration, 15 min., NIOSH

ppm

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

5,000

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

2,000

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

Route of entry

Ing, Inh, Intravenous

Ingestion

Harmful if swallowed.

Skin irritation

Irritating to skin. May cause severe irritation. Repeated exposure may cause dermatitis.

Eye irritation

Irritating to eyes.

Inhalation

Harmful by inhalation. Vapors may cause drowsiness and dizziness.

First aid: eyes

Flush eyes with large amounts of water until irritation subsides. If irritation persists, get medical attention.

First aid: skin

Flush with large amounts of water; use soap if available. Remove contaminated clothing, including shoes, and launder before reuse. Call for prompt medical attention

First aid: inhalation

Remove to fresh air. Respiratory support. Call for prompt medical attention.

Carcinogenicity IARC

2B

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

-3

430 100

-1

11,800/4H (gas, vapor)

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

2.00

Biological oxygen demand, 20 days

gg

-1

2.67

Chemical oxygen demand

g g-1

2.89

Theoretical oxygen demand

gg

3.07

Aquatic toxicity, Daphnia magna, 96-h LC50

mg l

Aquatic toxicity Fathead minnow, 96-h LC50

mg l-1

-1 -1

4.7 4.02

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330

Styrene PARAMETER

UNIT

VALUE

Montreal protocol

-

N

Partition coefficient

logKow

2.95

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331

Tetralin PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Tetralin

CAS #

-

119-64-2

IUPAC name

1,2,3,4-tetrahydronaphalene

Common name

1,2,3,4-tetrahydronaphthalene

Acronym

-

THN

Empirical formula

-

C10H12

Molecular mass

daltons

132.21

RTECS number

-

QK3850000

Chemical category

aromatic hydrocarbon

Mixture

-

N

EC number

-

204-340-2

Product contents

Tetralin >97 wt%

Formula

PHYSICAL PROPERTIES State

-

L

Odor

-

pungent

Color

-

colorless

Boiling point

o

C

Freezing point

o

C

Refractive index at 20oC

-

1.5410

Specific gravity

-

0.981

Specific gravity temperature

o

Vapor density

air=1

4.55

Vapor pressure

kPa

0.023

Vapor pressure temperature

o

Corrosivity

-

N

Molar volume

cm3 mol-1

136.7

Coefficients of Antoine equation

coefficient A

4.12671

coefficient B

1690.912

C

C

207.5 -35.0

20

20

coefficient C

-70.229

K

366.9 to 479.3

Viscosity

mPas (cP)

2.14

Viscosity temperature

o

Solubility in water at 20oC

mg kg-1

Temperature range of Antoine equation

C

25 46

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332

Tetralin PARAMETER

UNIT

Heat of combustion at 25oC

MJ kg-1

45.8

Coefficient of thermal expansion

10-4 oC-1 (K-1)

7.45

Hildebrand solubility parameter

(MPa)1/2

19.04

Hansen solubility parameters, (MPa)1/2

dD

19.6

dP

2.0

Henry’s law constant

VALUE

dH

2.9

atm/m3-mol-1

1.37E-03

Flammability

2

Health

2

Reactivity

0

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R19,R36/38,R51,R53

US safety phrases, S

S2,S26,S28,S61

UN number

-

3082

UN/NA hazard class

9

UN packaging group

III

DOT class

9, III

ICAO/IATA class, packaging group

UN 3082 ENVIRONMENTALLY HAZARDOUS SUBSTANCE, LIQUID, N.O.S. (1,2,3,4-TETRAHYDRONAPHTHALENE), 9, III

IMDG class, packaging group

UN 3082 ENVIRONMENTALLY HAZARDOUS SUBSTANCE, LIQUID, N.O.S. (1,2,3,4-TETRAHYDRONAPHTHALENE), 9, III

Autoignition temperature

o

C

Flash point

o

C

Flash point method

-

OC

Explosion limit, lower

wt%

0.80

Explosion limit, upper

wt%

5.00

Threshold limiting value – TWA 8h, OSHA

ppm

Animal testing, acute toxicity, Rat oral LD50

384 71

25 -1

mg kg

2,860

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

-1

17,000

Route of entry

Inh, Con, Ing

Skin irritation

Irritating to skin.

Eye irritation

Irritating to eyes.

Inhalation

Harmful by inhalation. May cause respiratory tract irritation.

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Tetralin PARAMETER

UNIT

VALUE

First aid: eyes

Rinse cautiously with water for several minutes. Remove contact lenses, if present. If irritation persists, get medical attention.

First aid: skin

Wash with plenty of soap and water. If irritation persists, get medical attention.

First aid: inhalation

Remove to fresh air. Respiratory support. Call for prompt medical attention.

Carcinogenicity IARC

N

Carcinogenicity NTP

N

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

0.0

Chemical oxygen demand

gg

-1

0.31

Theoretical oxygen demand

g g-1

3.15

Montreal protocol

-

N

Partition coefficient

logKow

3.49

Manufacturer

-

Parchem

Recommended for products

Solvent for naphthalene fats, resins, oils, waxes, lacquers, shoe polishes, floor waxes, degreasing agent.

USE & PERFORMANCE

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Toluene PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Toluene

CAS #

-

IUPAC name

toluene

Common name

methylbenzene

Common synonym

phenylmethane

108-88-3

Acronym

-

TOLH

Empirical formula

-

C7H8

Formula

CH3 Molecular mass

daltons

92.15 XS5250000

RTECS number

-

Chemical category

aromatic hydrocarbon

Mixture

-

N

EC number

-

203-625-9

Product contents

toluene 99.95 wt% - 100 wt%, may contain benzene 0.05 wt%

PHYSICAL PROPERTIES State

-

L

Odor

-

sweet, benzene

Odor threshold

ppm

2.90

Color

-

colorless

Boiling point

o

C

Freezing point

o

C

Refractive index at 20oC

-

1.4990

Specific gravity

-

0.870

Specific gravity temperature

o

Vapor density

air=1

3.10

Vapor pressure

kPa

3.089

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

2.4 (ExxonMobil)

Evaporation rate

ether=1

6.1

Enthalpy of vaporization

kJ mol-1

33.18

Enthalpy of vaporization temperature

K

383.18

Acceptor number

-

6.8

C

C

110.6 -95.0

20

21.1

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Toluene PARAMETER

UNIT

VALUE

Donor number

kcal mol-1

0.1

Polarity parameter, ET(30)

kcal mol-1

33.9

Corrosivity

-

N

Molar volume

cm3 mol-1

106.8

Kauri butanol number

-

105

Coefficients of Antoine equation

coefficient A

4.07827

coefficient B

1343.943

coefficient C

-53.773

Temperature range of Antoine equation

K

308.52 to 384.66

Viscosity

mPas (cP)

0.5525

Viscosity temperature

o

C

25

Surface tension at 20 C

mN m

Solubility in water at 20oC

mg kg-1

Heat of combustion at 25 C

MJ kg

Specific heat at 25 C

kJ K mol

Thermal conductivity at 25oC

W m-1 K-1

Coefficient of thermal expansion

10

Hildebrand solubility parameter

(MPa)1/2

18.23

dD

18.0

dP

1.4

o

o

o

Hansen solubility parameters, (MPa)

1/2

negligible 46.02

-1

-1

-4 o

28.60

-1

146.98

-1

0.1289

C (K ) -1

-1

dH

10.70

2.0

Henry’s law constant

atm/m -mol

Relative permittivity

-

2.38

Flammability

3

Health

2

Reactivity

0

Flammability

3

Health

2

Reactivity

0

3

-1

6.64E-03

HEALTH & SAFETY NFPA classification

HMIS classification

UN risk phrases, R

R11,R63,R48/20,R65,R38,R67

US safety phrases, S

S2,S36/37,S46,S62

UN number

-

1294

UN/NA hazard class

3

UN packaging group

II

DOT class

UN 1294 TOLUENE, 3, II

TDG class

UN 1294 TOLUENE, 3, II

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Toluene PARAMETER

UNIT

VALUE

ICAO/IATA class, packaging group

UN 1294 TOLUENE, 3, II

IMDG class, packaging group

UN 1294 TOLUENE, 3, II

Proper shipping name

toluene

Autoignition temperature

o

C

480

Flash point

o

C

4.0

Flash point method

-

TCC

Explosion limit, lower

wt%

1.30

Explosion limit, upper

wt%

6.70

Threshold limiting value – TWA 8h, ACGIH

mg m

188

Threshold limiting value – TWA 8h, ACGIH

ppm

50

Threshold limiting value – TWA 8h, NIOSH

mg m-3

375

Threshold limiting value – TWA 8h, NIOSH

ppm

100

Threshold limiting value – TWA 8h, OSHA

ppm

Maximum exposure concentration NIOSH-IDLH

mg m

7,660

Maximum exposure concentration NIOSH-IDLH

ppm

500

Maximum concentration, any time, ACGIH

ppm

20

Maximum concentration, any time, OSHA

ppm

300

Maximum concentration, 15 min., NIOSH

mg m-3

560

Maximum concentration, 15 min., NIOSH

ppm

150

Animal testing, acute toxicity, Rat oral LD50

mg kg

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

>5,000

Animal testing, acute toxicity, Rat inhalation, LC50

mg m-3

4,000/4H

Route of entry

Inh, Abs, Ing, Con

Ingestion

Harmful if swallowed, may cause lung damage.

Skin irritation

Irritating to skin. Repeated exposure may cause skin dryness or cracking.

Eye irritation

Irritating to eyes.

Inhalation

Inhalation of vapors may cause drowsiness & dizziness. May cause central nervous system depression.

First aid: eyes

Rinse cautiously with water for several minutes. Remove contact lenses, if present. If irritation persists, get medical attention.

-3

200 -3

-1

5,580

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337

Toluene PARAMETER

UNIT

VALUE

First aid: skin

Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Get medical attention.

First aid: inhalation

Remove to fresh air. Respiratory support. Call for prompt medical attention.

Target organs

CNS,Lvr,Kdny,Bld

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

Mutagenic properties

N

ECOLOG ICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

1.22

Biological oxygen demand, 20 days

g g-1

2.16

Chemical oxygen demand

gg

-1

2.52

Theoretical oxygen demand

gg

-1

Bioconcentration factor

-

1.57

Biodegradation probability

-

days-weeks

Atmospheric half-life

h

Hydroxyl rate constant

cm molecule s

5.96E-12

Montreal protocol

-

N

Partition coefficient

logKow

2.73

Urban ozone formation potential

C2H4=1

0.24

Soil absorption constant

-

1.98

UV absorption

nm

268; 264; 261; 255 (MeOH)

3.13

13.0 3

-1

-1

USE & PERFORMANCE Recommended for products

Solvent for paints, lacquers, gums, resins, spot removers Cosmetics, antifreezes, and inks.

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338

Xylene, mPARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Xylene, m-

CAS #

-

108-38-3

IUPAC name

m-xylene

Common name

1,3-dimethyl benzene

Common synonym

m-xylol

Acronym

-

MXYL

Empirical formula

-

C8H10

Formula

CH3 CH3

Molecular mass

daltons

106.18

RTECS number

-

ZE2275000

Chemical category

aromatic hydrocarbon

Mixture

-

N

EC number

-

203-576-3

Product contents

m-xylene 100 %

PHYSICAL PROPERTIES State

-

L

Odor

-

aromatic

Odor threshold

ppm

3.7

Color

-

colorless

Boiling point

o

C

139.1

Freezing point

o

C

-47.90

Refractive index at 20 C o

-

1.4950

Specific gravity

-

Specific gravity temperature

o

0.860

Vapor density

air=1

3.70

Vapor pressure

kPa

1.11

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

C

25

C

25 0.70 35.66

Enthalpy of vaporization

kJ mol

Enthalpy of vaporization temperature

K

412.3

Donor number

kcal mol-1

5.0

Polarity parameter, ET(30)

kcal mol-1

34.6

Corrosivity

-

N

Molar volume

cm mol 3

-1

-1

121.3

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339

Xylene, mPARAMETER

UNIT

VALUE

Coefficients of Antoine equation

coefficient A

4.13607

coefficient B

1463.218

coefficient C

-57.991

Temperature range of Antoine equation

K

332.3 to 413.2

Viscosity

mPas (cP)

0.581

Viscosity temperature

o

Surface tension at 20oC

mN m-1

28.10

Solubility in water at 20 C

mg kg

-1

174

Heat of combustion at 25 C

MJ kg

-1

46.05

Specific heat at 25oC

kJ K-1 mol-1

183.43

Coefficient of thermal expansion

10

9.63

Hildebrand solubility parameter

(MPa)

Hansen solubility parameters, (MPa)1/2

dD

18.4

dP

2.6

o

o

C

25

-4 o

C (K ) -1

-1

1/2

18.00

dH

2.3

Henry’s law constant

atm/m3-mol-1

7.18E-03

Relative permittivity

-

2.37

Flammability

3

Health

2

Reactivity

0

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R10,R20/21,R38

US safety phrases, S

S25

UN number

-

UN/NA hazard class

3

UN packaging group

III

DOT class

UN 1307 XYLENES, 3, III

TDG class

3, III

ICAO/IATA class, packaging group

UN 1307 XYLENES, 3, III

IMDG class, packaging group

UN 1307 XYLENES, 3, III

Proper shipping name

xylenes

Autoignition temperature

o

C

527

Flash point

o

C

27

Flash point method

-

CC

Explosion limit, lower

wt%

1.10

Explosion limit, upper

wt%

Threshold limiting value – TWA 8h, ACGIH

mg m

1307

7.00 -3

651

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340

Xylene, mPARAMETER

UNIT

VALUE

Threshold limiting value – TWA 8h, ACGIH

ppm

150

Threshold limiting value – TWA 8h, NIOSH

mg m-3

655

Threshold limiting value – TWA 8h, NIOSH

ppm

150

Threshold limiting value – TWA 8h, OSHA

mg m-3

655

Threshold limiting value – TWA 8h, OSHA

ppm

150 4,410

Maximum exposure concentration NIOSH-IDLH

mg m

Maximum exposure concentration NIOSH-IDLH

ppm

1,000

Maximum concentration, any time, ACGIH

mg m-3

434

Maximum concentration, any time, ACGIH

ppm

100

Maximum concentration, any time, NIOSH

mg m-3

435

Maximum concentration, any time, NIOSH

ppm

100

Maximum concentration, any time, OSHA

mg m

Maximum concentration, any time, OSHA

ppm

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

5,000

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

12,180

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

Route of entry

Inh, Abs, Ing, Con

Ingestion

Harmful if swallowed and enters airways.

Skin irritation

May be harmful if absorbed through the skin. Xylene contact causes defatting of the skin with irritation, dryness, & cracking.

Eye irritation

Vapors cause eye irritation. Splashes cause severe irritation, possible corneal burns and eye damage.

Inhalation

Inhalation causes respiratory tract irritation. Irritation may lead to chemical pneumonitis & pulmonary edema.

First aid: eyes

Rinse thoroughly with plenty of water for at least 15 minutes. GET MEDICAL ATTENTION.

First aid: skin

Wash off with plenty of water. Take off all contaminated clothing immediately. If skin irritation persists, call physician.

First aid: inhalation

Move person into fresh air. If not breathing, give artificial respiration. Consult a physician.

Target organs

CNS,Eye,GI,Bld,Lvr,Kdny,Skin. Suspect of damage fertility or the unborn child.

-3

-3

435 100

-1

5,984/4H

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Xylene, mPARAMETER

UNIT

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

Mutagenic properties

N

VALUE

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

2.53

Chemical oxygen demand

gg

-1

2.62

Theoretical oxygen demand

g g-1

3.17

Aquatic toxicity, Daphnia magna, 48-h LC50

mg l

2.81

Aquatic toxicity, Rainbow trout, 96-h LC50

mg l-1

8.4

Bioconcentration factor

-

1.8

Biodegradation probability

-

days-weeks

Hydroxyl rate constant

cm3 molecule-1 s-1

2.36E-11

Montreal protocol

-

N

-1

Partition coefficient

logKow

3.20

Urban ozone formation potential

C2H4=1

1.13

Soil absorption constant

-

2.28

UV absorption

nm

272, 265 (cyclohexane)

USE & PERFORMANCE Recommended for products

Solvent; intermediate for dyes and organic synthesis.

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342

Xylene, oPARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Xylene, o-

CAS #

-

95-47-6

IUPAC name

o-xylene

Common name

1,2-dimethyl benzene

Common synonym

o-xylol

Acronym

-

OXYL

Empirical formula

-

C8H10

Formula

CH3 CH3

Molecular mass

daltons

106.18

RTECS number

-

ZE2450000

Chemical category

aromatic hydrocarbon

Mixture

-

N

EC number

-

202-422-2

Product contents

o-xylene 99-100%, p-xylene <1 wt% m-xylene <1 wt%

PHYSICAL PROPERTIES State

-

L

Odor

-

aromatic

Odor threshold

ppm

0.400

Color

-

colorless

Boiling point

o

C

144.4

Freezing point

o

C

-25.20

Refractive index at 20 C o

-

1.5030

Specific gravity

-

Specific gravity temperature

o

0.876

Vapor density

air=1

3.70

Vapor pressure

kPa

0.88

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

C

25

C

25 0.70 36.24

Enthalpy of vaporization

kJ mol

Enthalpy of vaporization temperature

K

Polarity parameter, ET(30)

kcal mol-1

34.7

Corrosivity

-

N

Molar volume

cm3 mol-1

121.1

-1

417.6

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Xylene, oPARAMETER

UNIT

VALUE

Coefficients of Antoine equation

coefficient A

4.12928

coefficient B

1478.244

coefficient C

-59.076

Temperature range of Antoine equation

K

336.6 to 418.5

Viscosity

mPas (cP)

0.64

Viscosity temperature

o

Surface tension at 20oC

mN m-1

29.49

Solubility in water at 20 C

mg kg

-1

201

Heat of combustion at 25 C

MJ kg

-1

46.05

Specific heat at 25oC

kJ K-1 mol-1

188.07

Coefficient of thermal expansion

10

9.3

Hildebrand solubility parameter

(MPa)

Hansen solubility parameters, (MPa)1/2

dD

17.8

dP

1.0

o

o

C

25

-4 o

C (K ) -1

-1

1/2

18.00

dH

3.1

Henry’s law constant

atm/m3-mol-1

5.18E-03

Relative permittivity

-

2.57

Flammability

3

Health

2

Reactivity

0

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R10,R20/21,R38

US safety phrases, S

S25

UN number

-

UN/NA hazard class

3

UN packaging group

III

DOT class

UN 1307 XYLENES, (O-XYLENE),3, III

ICAO/IATA class, packaging group

UN 1307 XYLENES, 3, III

IMDG class, packaging group

UN 1307 XYLENES, (O-XYLENE), MARINE POLLUTANT), 3, III

Proper shipping name

xylenes

Autoignition temperature

o

C

463

Flash point

o

C

32

Flash point method

-

CC

Explosion limit, lower

wt%

0.90

Explosion limit, upper

wt%

Threshold limiting value – TWA 8h, ACGIH

mg m

1307

6.70 -3

651

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Xylene, oPARAMETER

UNIT

VALUE

Threshold limiting value – TWA 8h, ACGIH

ppm

150

Threshold limiting value – TWA 8h, NIOSH

mg m-3

655

Threshold limiting value – TWA 8h, NIOSH

ppm

150

Threshold limiting value – TWA 8h, OSHA

mg m-3

655

Threshold limiting value – TWA 8h, OSHA

ppm

150 4,410

Maximum exposure concentration NIOSH-IDLH

mg m

Maximum exposure concentration NIOSH-IDLH

ppm

900

Maximum concentration, any time, ACGIH

mg m-3

434

Maximum concentration, any time, ACGIH

ppm

100

Maximum concentration, any time, NIOSH

mg m-3

435

Maximum concentration, any time, NIOSH

ppm

100

Maximum concentration, any time, OSHA

mg m

Maximum concentration, any time, OSHA

ppm

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

3,523

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

12,400

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

Route of entry

Inh, Abs, Ing, Con

Ingestion

Harmful if swallowed and enters airways.

Skin irritation

May be harmful if absorbed through the skin. Xylene contact causes defatting of the skin with irritation, dryness, & cracking.

Eye irritation

Vapors cause eye irritation. Splashes cause severe irritation, possible corneal burns and eye damage.

Inhalation

Inhalation causes respiratory tract irritation. Irritation may lead to chemical pneumonitis & pulmonary edema.

First aid: eyes

Rinse thoroughly with plenty of water for at least 15 minutes. GET MEDICAL ATTENTION.

First aid: skin

Wash off with plenty of water. Take off all contaminated clothing immediately. If skin irritation persists, call physician.

First aid: inhalation

Move person into fresh air. If not breathing, give artificial respiration. Consult a physician.

Target organs

CNS,Eye,GI,Bld,Lvr,Kdny,Skin

-3

-3

435 100

-1

27,124/4H

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Xylene, oPARAMETER

UNIT

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

Mutagenic properties

N

VALUE

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

1.64

Chemical oxygen demand

gg

-1

2.91

Theoretical oxygen demand

g g-1

3.17

Aquatic toxicity, Daphnia magna, 48-h LC50

mg l

2.22

Aquatic toxicity, Rainbow trout, 96-h LC50

mg l-1

7.6

Bioconcentration factor

-

2.15

Biodegradation probability

-

days-weeks

Hydroxyl rate constant

cm3 molecule-1 s-1

1.37E-11

Montreal protocol

-

N

-1

Partition coefficient

logKow

3.12

Urban ozone formation potential

C2H4=1

1.13

Soil absorption constant

-

2.11

UV absorption

nm

269.5, 262 (MeOH)

USE & PERFORMANCE Recommended for products

Used in solvent applications and to make bactericides, soybean herbicides.

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346

Xylene, pPARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Xylene, p-

CAS #

-

95-47-6

IUPAC name

p-xylene

Common name

1,4-dimethyl benzene

Common synonym

p-xylol

Acronym

-

PXYL

Empirical formula

-

C8H10

Formula

H3C

CH3

Molecular mass

daltons

106.18

RTECS number

-

ZE2625000

Chemical category

aromatic hydrocarbon

Mixture

-

N

EC number

-

203-396-5

Product contents

p-xylene 99 wt%, ethylbenzene <1 wt%, o-xylene <1 wt% m-xylene <1 wt%

PHYSICAL PROPERTIES State

-

L

Odor

-

aromatic

Odor threshold

ppm

0.400

Color

-

colorless

Boiling point

o

C

138.4

Freezing point

o

C

-13.30

Refractive index at 20 C

-

1.4960

Specific gravity

-

0.8606

Specific gravity temperature

o

Vapor density

air=1

3.70

Vapor pressure

kPa

1.16

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

0.72

Enthalpy of vaporization

kJ mol-1

36.67

Enthalpy of vaporization temperature

K

Donor number

kcal mol

Polarity parameter, ET(30)

kcal mol-1

33.1

Corrosivity

-

N

Molar volume

cm3 mol-1

121.1

o

C

25

C

25

411.5 -1

5.0

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347

Xylene, pPARAMETER

UNIT

VALUE

Kauri butanol number

-

93

Coefficients of Antoine equation

coefficient A

4.11138

Temperature range of Antoine equation

coefficient B

1450.688

coefficient C

-58.16

K

331.4 to 412.4

Viscosity

mPas (cP)

Viscosity temperature

o

Surface tension at 20oC

mN m-1

27.76

Solubility in water at 20 C

mg kg

201

Heat of combustion at 25oC

MJ kg-1

Specific heat at 25 C

kJ K mol

Coefficient of thermal expansion

10

Hildebrand solubility parameter

(MPa)1/2

17.94

dD

17.8

dP

1.0

o

o

Hansen solubility parameters, (MPa)

25 -1

-1

1/2

0.605

C

-4 o

46.05 181.67

-1

C (K ) -1

-1

dH

9.82

3.1

Henry’s law constant

atm/m -mol

Relative permittivity

-

2.27

Flammability

3

Health

2

Reactivity

0

3

-1

7.66E-03

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R10,R20/21,R38

US safety phrases, S

S25

UN number

-

1307

UN/NA hazard class

3

UN packaging group

III

DOT class

UN 1307 XYLENES, (P-XYLENE),3, III

ICAO/IATA class, packaging group

UN 1307 XYLENES, 3, III

IMDG class, packaging group

UN 1307 XYLENES, (P-XYLENE), MARINE POLLUTANT), 3, III

Proper shipping name

xylenes (p-xylene)

Autoignition temperature

o

C

528

Flash point

o

C

27

Flash point method

-

TCC

Explosion limit, lower

wt%

1.10

Explosion limit, upper

wt%

7.00

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348

Xylene, pPARAMETER

UNIT

Threshold limiting value – TWA 8h, ACGIH

mg m-3

434

Threshold limiting value – TWA 8h, ACGIH

ppm

100

Threshold limiting value – TWA 8h, NIOSH

mg m-3

435

Threshold limiting value – TWA 8h, NIOSH

ppm

100

Threshold limiting value – TWA 8h, OSHA

mg m-3

435

Threshold limiting value – TWA 8h, OSHA

ppm

100

Maximum exposure concentration NIOSH-IDLH

mg m-3

4,410

Maximum exposure concentration NIOSH-IDLH

ppm

1,000

Maximum concentration, 15 min., ACGIH

mg m

Maximum concentration, 15 min., ACGIH

ppm

150

Maximum concentration, 15 min., NIOSH

mg m-3

655

Maximum concentration, 15 min., NIOSH

ppm

150

Maximum concentration, 15 min., OSHA

mg m-3

655

Maximum concentration, 15 min., OSHA

ppm

150

-3

VALUE

651

Animal testing, acute toxicity, Rat oral LD50

mg kg

-1

4,000

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

5,000

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

4,740/4H

Route of entry

Inh, Abs, Ing, Con

Ingestion

Harmful if swallowed.

Skin irritation

May be harmful if absorbed through the skin. Xylene contact causes defatting of the skin with irritation, dryness, & cracking.

Eye irritation

Vapors cause eye irritation. Splashes cause severe irritation, possible corneal burns and eye damage.

Inhalation

Inhalation causes respiratory tract irritation. Irritation may lead to chemical pneumonitis & pulmonary edema.

First aid: eyes

Rinse thoroughly with plenty of water for at least 15 minutes. GET MEDICAL ATTENTION.

First aid: skin

Wash off with plenty of water. Take off all contaminated clothing immediately. If skin irritation persists, call physician.

First aid: inhalation

Move person into fresh air. If not breathing, give artificial respiration. Consult a physician.

Target organs

CNS,Eye,GI,Bld,Lvr,Kdny,Skin

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Xylene, pPARAMETER

UNIT

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

VALUE

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

1.40

Chemical oxygen demand

gg

-1

2.56

Theoretical oxygen demand

gg

-1

Bioconcentration factor

-

1.18

Biodegradation probability

-

days-weeks

Hydroxyl rate constant

cm3 molecule-1 s-1

1.43E-11

Montreal protocol

-

N

3.17

Partition coefficient

logKow

3.15

Urban ozone formation potential

C2H4=1

1.13

Soil absorption constant

-

2.41

UV absorption

nm

274.5, 211.5 (Cyclohexane)

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350

3.8 Chlorofluorocarbons Chloropentafluoroethane PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Chloropentafluoroethane

CAS #

-

76-15-3

IUPAC name

1-chloro-1,1,2,2,2-pentafluoro-ethane

Common name

flurocarbon 115

Common synonym

Freon 115

Empirical formula

-

C2ClF5

Formula

CF3CF2Cl

Molecular mass

daltons

154.47

RTECS number

-

KH7877500

Chemical category

-

chlorofluorocarbon

Mixture

-

N

EC number

-

200-938-2

State

-

G

Odor

-

none

Color

-

colorless

Boiling point

o

C

-39.1

Freezing point

o

C

-106.0

PHYSICAL PROPERTIES

Refractive index at 20 C

-

1.2900

Specific gravity

-

1.291

Specific gravity temperature

o

Vapor density

air=1

5.33

Vapor pressure

kPa

797

Vapor pressure temperature

o

C

25

Enthalpy of vaporization

kJ mol-1

19.41

Enthalpy of vaporization temperature

K

234.0

Corrosivity

-

N

Molar volume

cm3 mol-1

104.8

Surface tension at 20 C

mN m

5.00

Solubility in water at 20 C

mg kg

Specific heat at 25oC

kJ K-1 mol-1

184.10

Wm K

0.046

dD

13.9

dP

3.1

dH

0.5

o

o

o

Thermal conductivity at 25 C o

Hansen solubility parameters, (MPa)

C

-42

-1

1/2

-1

58

-1

-1

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351

3.8 Chlorofluorocarbons Chloropentafluoroethane PARAMETER

UNIT

VALUE

Henry’s law constant

atm/m3-mol-1

8.53E+00

HEALTH & SAFETY US safety phrases, S

S36/37/38

UN number

-

UN/NA hazard class

2.2

1020

Proper shipping name

compressed liquified gas

Flash point

o

Threshold limiting value – TWA 8h, ACGIH

mg m-3

6,320

Threshold limiting value – TWA 8h, ACGIH

ppm

1,000

Threshold limiting value – TWA 8h, OSHA

mg m-3

6,320

Threshold limiting value – TWA 8h, OSHA

ppm

1,000

C

70

Maximum concentration, any time, NIOSH

mg m

6,320

Maximum concentration, any time, NIOSH

ppm

1,000

Route of entry

Inh, Ing, Con

Skin irritation

Frostbite

Eye irritation

Frostbite

Target organs

CNS,CVS,RspSys

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

Mutagenic properties

N

-3

ECOLOGICAL PROPERTIES Theoretical oxygen demand

g g-1

0.10

Bioconcentration factor

-

1.60

Biodegradation probability

-

weeks

Global warming potential

9,300

Montreal protocol

-

Y

Partition coefficient

logKow

2.47

Ozone depletion potential

CFC11=1

0.6

Urban ozone formation potential

C2H4=1

0.0

Soil absorption constant

-

2.35

UV absorption

nm

<220

USE & PERFORMANCE Manufacturer

DuPont, Daikin Industries, Ltd, abcr GmbH & Co. KG

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

352

Chlorodifluoromethane PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Chlorodifluoromethane

CAS #

-

75-45-6

IUPAC name

chloro-difluoro-methane

Common name

monochlorodifluoromethane

Common synonym

R 22

Empirical formula

-

CHClF2

Formula

HCF2Cl

Molecular mass

daltons

86.47

RTECS number

-

PA6390000

Chemical category

hydrochlorofluorocarbon

Mixture

-

N

EC number

-

200-871-9

State

-

G

Odor

-

low

Color

-

colorless

Boiling point

o

C

-40.8

Freezing point

o

C

-157.42

PHYSICAL PROPERTIES

Refractive index at 20 C

-

1.2640

Specific gravity

-

1.194

Specific gravity temperature

o

Vapor density

air=1

2.98

Vapor pressure

kPa

908

Vapor pressure temperature

o

C

20

Enthalpy of vaporization

kJ mol-1

20.22

Enthalpy of vaporization temperature

K

232.5

Corrosivity

-

N

Molar volume

cm3 mol-1

61.2

Coefficients of Antoine equation

coefficient A

4.36567

o

C

25

coefficient B

947.577

coefficient C

-14.964

Temperature range of Antoine equation

K

232.3 to 358.4

Surface tension at 20oC

mN m-1

Solubility in water at 20 C

mg kg

o

Thermal conductivity at 25 C o

8.00 2,770

-1

Wm K -1

-1

0.0879

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Chlorodifluoromethane PARAMETER

UNIT

VALUE

Coefficient of thermal expansion

10-4 oC-1 (K-1)

32.94

Hildebrand solubility parameter

(MPa)1/2

14.93

dD

12.3

dP

6.3

Hansen solubility parameters, (MPa)

1/2

dH

5.7

Henry’s law constant

atm/m -mol

Relative permittivity

-

6.11

Flammability

0

Health

1

Reactivity

1

UN number

-

1018

UN/NA hazard class

2.2

Autoignition temperature

o

C

Flash point

o

C

-78.0

Explosion limit, upper

wt%

26.90

Threshold limiting value – TWA 8h, ACGIH

mg m-3

3,540

Threshold limiting value – TWA 8h, ACGIH

ppm

1,000

Threshold limiting value – TWA 8h, NIOSH

mg m-3

3,500

Threshold limiting value – TWA 8h, NIOSH

ppm

1,000

3

-1

5.72E-03

HEALTH & SAFETY NFPA classification

632

Threshold limiting value – TWA 8h, OSHA

mg m

3,500

Threshold limiting value – TWA 8h, OSHA

ppm

1,000

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

3,725

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

50,000/5H

-3

Route of entry

Inh, Ing, Con

Target organs

RspSys,CVS,GI,Skin,Lvr,CNS

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

Mutagenic properties

Y

ECOLOGICAL PROPERTIES Theoretical oxygen demand

g g-1

0.19

Bioconcentration factor

-

0.59

Biodegradation probability

-

weeks

Hydroxyl rate constant

cm3 molecule-1 s-1

4.68E-15

Global warming potential

1,200

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354

Chlorodifluoromethane PARAMETER

UNIT

VALUE

Montreal protocol

-

Y

Partition coefficient

logKow

1.08

Ozone depletion potential

CFC11=1

0.055

Urban ozone formation potential

C2H4=1

0

Soil absorption constant

-

1.54

UV absorption

nm

<200

-

Arkema, DuPont

USE & PERFORMANCE Manufacturer

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355

Dichlorodifluoromethane PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Dichlorodifluoromethane

CAS #

-

75-71-8

IUPAC name

dichloro-difluoro-methane

Common name

R 12

Common synonym

CFC 12

Acronym

-

CFC 12/DCDFMA

Empirical formula

-

CCl2F2

Formula

F Cl C Cl F

Molecular mass

daltons

120.91

RTECS number

-

PA8200000

Chemical category

-

chlorofluorocarbon

Mixture

-

N

EC number

-

200-893-9

-

G

PHYSICAL PROPERTIES State Odor

-

faint, etheral

Color

-

colorless

Boiling point

o

C

Freezing point

o

C

Refractive index at 20oC

-

1.29

Specific gravity

-

1.311

Specific gravity temperature

o

Vapor density

air=1

4.17

Vapor pressure

kPa

566.66

Vapor pressure temperature

o

Enthalpy of vaporization

kJ mol

Enthalpy of vaporization temperature

K

Corrosivity

-

Molar volume

cm mol

Coefficients of Antoine equation

coefficient A

3.81109

coefficient B

782.072

coefficient C

-37.773

K

154.6 to 243.3

Temperature range of Antoine equation

-29.8 -158.2

C

25

C

20 20.13

-1

bp N 3

-1

81.3

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Dichlorodifluoromethane PARAMETER

UNIT

VALUE

Viscosity

mPas (cP)

Viscosity temperature

o

Surface tension at 20oC

mN m-1

Solubility in water at 20oC

mg kg-1

0.22

C

30 9.0 300

Thermal conductivity at 25 C

Wm K

Coefficient of thermal expansion

10

Hildebrand solubility parameter

(MPa)1/2

11.25

dD

14.9

dP

2.0

o

Hansen solubility parameters, (MPa)

-1

1/2

-4 o

0.0711

-1

C (K ) -1

-1

dH

28.1

0.0

Henry’s law constant

atm/m -mol

Relative permittivity

-

2.13

Flammability

0

Health

1

Reactivity

0

3

-1

3.43E-01

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R44,R59

US safety phrases, S

S9,S38

UN number

-

UN/NA hazard class

2.2

Threshold limiting value – TWA 8h, ACGIH

mg m-3

4,950

Threshold limiting value – TWA 8h, ACGIH

ppm

1,000

Threshold limiting value – TWA 8h, NIOSH

mg m-3

4,950

Threshold limiting value – TWA 8h, NIOSH

ppm

1,000

Threshold limiting value – TWA 8h, OSHA

mg m-3

4,950

Threshold limiting value – TWA 8h, OSHA

ppm

1,000

Maximum exposure concentration NIOSH-IDLH

mg m-3

250,000

Maximum exposure concentration NIOSH-IDLH

ppm

15,000

1028

Animal testing, acute toxicity, Rat oral LD50

mg kg

-1

1,000

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

5,000

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

677,000/3H

Route of entry

Inh, Con

Inhalation

Harmful if inhaled

Target organs

CVS,PNS,CNS, Heart

Carcinogenicity IARC

N

Carcinogenicity NTP

N

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357

Dichlorodifluoromethane PARAMETER

UNIT

Carcinogenicity OSHA

N

Mutagenic properties

N

VALUE

ECOLOGICAL PROPERTIES Bioconcentration factor

-

1.41

Biodegradation probability

-

weeks

Hydroxyl rate constant

cm3 molecule-1 s-1

4.00E-16

Global warming potential Montreal protocol

8500 -

Y (banned in 1994)

Partition coefficient

logKow

2.16

Ozone depletion potential

CFC11=1

1

Urban ozone formation potential

C2H4=1

0.00

Soil absorption constant

-

2.29

UV absorption

nm

<200

USE & PERFORMANCE Manufacturer

SynQuest Laboratories, Inc., Honewell

Recommended for products

solvent, aerosol propellant, effective refrigerant used in reciprocating and rotary type refrigeration equipment and in some centrifugal

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Dichlorofluoromethane PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Dichlorofluoromethane

CAS #

-

75-43-4

IUPAC name

dichloro-fluoro-methane

Common name

Freon 21

Acronym

-

CFC 21 / DCFMA

Empirical formula

-

CHCl2F

Formula

HCFCl2

Molecular mass

daltons

102.92

RTECS number

-

PA8400000

Chemical category

hydrochlorofluorocarbon

Mixture

-

N

EC number

-

200-869-8

PHYSICAL PROPERTIES State

-

G

Odor

-

ether-like

Color

-

colorless

Boiling point

o

C

8.9

Freezing point

o

C

-135.0

Refractive index at 20 C

-

1.3560

Specific gravity

-

1.366

Specific gravity temperature

o

Vapor density

air=1

3.80

Vapor pressure

kPa

181.33

Vapor pressure temperature

o

o

C

25

C

25 24.23

Enthalpy of vaporization

kJ mol

Enthalpy of vaporization temperature

K

298.2

Corrosivity

-

N

Molar volume

cm3 mol-1

75.4

Coefficients of Antoine equation

coefficient A

4.29721

-1

coefficient B

1105.42

coefficient C

-24.479

Temperature range of Antoine equation

K

282.0 to 450.6

Surface tension at 20 C

mN m

Solubility in water at 20oC

mg kg-1

Specific heat at 25 C

kJ K mol

o

o

-1

18.00

-1

10,000 -1

108.36

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Dichlorofluoromethane PARAMETER

UNIT

VALUE

Thermal conductivity at 25oC

W m-1 K-1

0.1087

Coefficient of thermal expansion

10-4 oC-1 (K-1)

17.86

Hildebrand solubility parameter

(MPa)1/2

16.98

Hansen solubility parameters, (MPa)1/2

dD

15.8

dP

3.1

dH

5.7

Henry’s law constant

atm/m3-mol-1

3.23E-02

Relative permittivity

-

5.34

HEALTH & SAFETY UN risk phrases, R

R59

US safety phrases, S

S59

UN number

-

UN/NA hazard class

2.2

1029

Proper shipping name

dichlorofluoromethane

Autoignition temperature

o

C

522

Flash point

o

C

-36

Explosion limit, upper

wt%

54.7

Threshold limiting value – TWA 8h, ACGIH

mg m

42

Threshold limiting value – TWA 8h, ACGIH

ppm

10

Threshold limiting value – TWA 8h, NIOSH

mg m-3

40

Threshold limiting value – TWA 8h, NIOSH

ppm

10

Threshold limiting value – TWA 8h, OSHA

mg m-3

42

Threshold limiting value – TWA 8h, OSHA

ppm

10

Maximum exposure concentration NIOSH-IDLH

mg m-3

215,000

Maximum exposure concentration NIOSH-IDLH

ppm

5,000

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

49,900/4H

Route of entry

Inh, Ing, Con

Skin irritation

Frostbite

Eye irritation

Frostbite

Inhalation

Harmful if inhaled

Target organs

RspSys,CVS,CNS,Kdny,Skin, Eye

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

Mutagenic properties

N

-3

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Dichlorofluoromethane PARAMETER

UNIT

VALUE

Theoretical oxygen demand

g g-1

0.16

Bioconcentration factor

-

0.95

Biodegradation probability

-

days-weeks

Hydroxyl rate constant

cm3 molecule-1 s-1

3.03E-14

Montreal protocol

-

Y

ECOLOGICAL PROPERTIES

Partition coefficient

logKow

1.55

Urban ozone formation potential

C2H4=1

0

Soil absorption constant

-

1.54

UV absorption

nm

<200

-

Air Liquide

USE & PERFORMANCE Manufacturer

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

361

Trichlorofluoromethane PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Trichlorofluoromethane

CAS #

-

75-69-4

IUPAC name

trichloro-fluoro-methane

Common name

fluorotrichloromethane

Common synonym

R 11

Acronym

-

TCFMA

Empirical formula

-

CCl3F

Formula

FCCl3

Molecular mass

daltons

137.36

RTECS number

-

PB1250000

Chemical category

-

chlorofluorocarbon

Mixture

-

N

EC number

-

200-892-3

Product contents

trichlorofluoromethane 100 wt%

PHYSICAL PROPERTIES State

-

G

Odor

-

faint sweetish

Odor threshold

ppm

5.0

Color

-

colorless

Boiling point

o

C

Freezing point

o

C

Refractive index at 20oC

-

1.3790

Specific gravity

-

1.470

Specific gravity temperature

o

Vapor density

air=1

4.80

Vapor pressure

kPa

107.06

Vapor pressure temperature

o

Evaporation rate

ether=1

23.6 -110.50

C

21.1

C

25 >1 26.90

Enthalpy of vaporization

kJ mol

Enthalpy of vaporization temperature

K

Corrosivity

-

Molar volume

cm mol

Coefficients of Antoine equation

coefficient A

4.01447

coefficient B

1043.303

coefficient C

-36.602

-1

bp N 3

-1

92.8

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Trichlorofluoromethane PARAMETER

UNIT

VALUE

Temperature range of Antoine equation

K

243.5 to 334.3

Viscosity

mPas (cP)

0.443

Viscosity temperature

o

Surface tension at 20oC

mN m-1

Solubility in water at 20 C

mg kg

Specific heat at 25 C

kJ K mol

Thermal conductivity at 25oC

W m-1 K-1

0.0879

Hildebrand solubility parameter

(MPa)

15.55

o

o

Hansen solubility parameters, (MPa)

C

20

-1

1/2

18.00 1100

-1

121.55

-1

1/2

dD

15.3

dP

2.0

dH

0.0

Henry’s law constant

atm/m -mol

Relative permittivity

-

2.30

Flammability

0

Health

2

Reactivity

0

Flammability

0

Health

1

Reactivity

0

3

-1

9.70E-02

HEALTH & SAFETY NFPA classification

HMIS classification

UN risk phrases, R

R36/37/38,R59

US safety phrases, S

S26,S37/39,S59

UN number

-

UN/NA hazard class

not regulated

1017

DOT class

not regulated

Threshold limiting value – TWA 8h, ACGIH

mg m-3

5,620

Threshold limiting value – TWA 8h, ACGIH

ppm

1,000

Threshold limiting value – TWA 8h, OSHA

mg m-3

5,600

Threshold limiting value – TWA 8h, OSHA

ppm

1,000

Maximum exposure concentration NIOSH-IDLH

mg m-3

57,100

Maximum exposure concentration NIOSH-IDLH

ppm

10,000

Maximum concentration, any time, ACGIH

ppm

1,000

Maximum concentration, any time, NIOSH

mg m-3

5,600

Maximum concentration, any time, NIOSH

ppm

1,000

Maximum concentration, any time, OSHA

mg m-3

5,600

Maximum concentration, any time, OSHA

ppm

1,000

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Trichlorofluoromethane PARAMETER

UNIT

VALUE

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

5,000

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

130,000/15M

Route of entry

Inh, Ing, Con

Ingestion

May cause irritation of the digestive tract.

Skin irritation

Causes skin irritation. Causes redness and pain. May causes frostbite.

Eye irritation

Causes eye irritation. May causes frostbite.

Inhalation

Causes respiratory tract irritation. May cause liver abnormalities.

First aid: eyes

Flush immediately thoroughly with water for several minutes. Remove contact lenses, if present. If irritation persists, get medical attention.

First aid: skin

Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Get medical attention.

First aid: inhalation

Remove to fresh air. Respiratory support. Call for prompt medical attention.

Target organs

CVS,Skin,CNS

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

Mutagenic properties

N

ECOLOGICAL PROPERTIES Bioconcentration factor

-

1.69

Biodegradation probability

-

weeks

Hydroxyl rate constant

cm3 molecule-1 s-1

5.00E-16

Global warming potential

4,600

Montreal protocol

-

Y

Partition coefficient

logKow

2.53

Ozone depletion potential

CFC11=1

1

Urban ozone formation potential

C2H4=1

0.0

Soil absorption constant

-

1.97

UV absorption

nm

<230

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364

Trichlorotrifluoroethane, 1,1,2PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Trichlorotrifluoroethane, 1,1,2-

CAS #

-

76-13-1

IUPAC name

1,1,2-trichloro-1,2,2-trifluoro-ethane

Common name

trichlorotrifluoroethane

Common synonym

R 113

Acronym

-

TCTFA

Empirical formula

-

C2Cl3F3

Formula

Cl

F

C C Cl

F

Cl

F

Molecular mass

daltons

187.37

RTECS number

-

KJ4000000

Chemical category

-

chlorofluorocarbon

Mixture

-

N

EC number

-

200-936-1

Product contents

1,1,2- trichlorotrifluoroethane 100%

PHYSICAL PROPERTIES State

-

L

Odor

-

faint sweetish

Odor threshold

ppm

45.0

Color

-

colorless

Boiling point

o

C

47.6

Freezing point

o

C

-35.0

Refractive index at 20 C

-

1.3550

Specific gravity

-

1.470

Specific gravity temperature

o

Vapor density

air=1

6.46

Vapor pressure

kPa

48.266

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

>1

Enthalpy of vaporization

kJ mol-1

28.4

Enthalpy of vaporization temperature

K

298.2

Corrosivity

-

Molar volume

cm mol

o

C

21.1

C

25

N 3

-1

119.2

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Trichlorotrifluoroethane, 1,1,2PARAMETER

UNIT

VALUE

Coefficients of Antoine equation

coefficient A

4.02936

coefficient B

1112.856

coefficient C

-44.119

Temperature range of Antoine equation

K

247.7 to 356.4

Viscosity

mPas (cP)

0.711

Viscosity temperature

o

Surface tension at 20oC

mN m-1

Solubility in water at 20 C

mg kg

Specific heat at 25 C

kJ K mol

Thermal conductivity at 25oC

W m-1 K-1

0.0659

Hildebrand solubility parameter

(MPa)

14.83

o

o

Hansen solubility parameters, (MPa)

C

20

-1

1/2

17.75 170

-1

173.63

-1

1/2

dD

14.7

dP

1.6

dH

0.0

Henry’s law constant

atm/m -mol

Relative permittivity

-

2.41

Flammability

0

Health

1

Reactivity

0

Flammability

0

Health

2

Reactivity

0

3

-1

5.26E-01

HEALTH & SAFETY NFPA classification

HMIS classification

UN risk phrases, R

R51/53,R59

US safety phrases, S

S61

UN number

-

UN/NA hazard class

9

UN packaging group

III

3082

DOT class

9, III

ICAO/IATA class, packaging group

UN 3082 ENVIRONMENTALLY HAZARDOUS SUBSTANCE, LIQUID, N.O.S. (1,1,2-TRICHLOROTRIFLUOROETHANE), 9, III

IMDG class, packaging group

UN 3082 ENVIRONMENTALLY HAZARDOUS SUBSTANCE, LIQUID, N.O.S. (1,1,2-TRICHLOROTRIFLUOROETHANE), 9, III

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Trichlorotrifluoroethane, 1,1,2PARAMETER

UNIT

VALUE

Proper shipping name

environmentally hazardous substance, liquid, n.o.s. (1,1,2-trichlorotrifluoroethane)

Autoignition temperature

o

C

Flash point

o

C

Threshold limiting value – TWA 8h, ACGIH

mg m

Threshold limiting value – TWA 8h, ACGIH

ppm

1,000

Threshold limiting value – TWA 8h, NIOSH

mg m-3

7,600

Threshold limiting value – TWA 8h, NIOSH

ppm

1,000

Threshold limiting value – TWA 8h, OSHA

mg m-3

7,600

Threshold limiting value – TWA 8h, OSHA

ppm

1,000

770 350 -3

7,670

35,055

Maximum exposure concentration NIOSH-IDLH

mg m

Maximum exposure concentration NIOSH-IDLH

ppm

2,000

Maximum concentration, 15 min., ACGIH

mg m-3

9,500

Maximum concentration, 15 min., ACGIH

ppm

1,250

Maximum concentration, 15 min., NIOSH

mg m-3

9,500

Maximum concentration, 15 min., NIOSH

ppm

1,250

Maximum concentration, 15 min., OSHA

mg m

Maximum concentration, 15 min., OSHA

ppm

1,250

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

43,000

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

110,000/2H

-3

-3

9,500

Route of entry

Inh, Ing, Con

Ingestion

May cause irritation of the digestive tract.

Skin irritation

Causes skin irritation. Causes redness and pain. May causes frostbite.

Eye irritation

Causes eye irritation. May causes frostbite.

Inhalation

Inhalation causes cardiac arrhythmia, confusion, drowsiness.

First aid: eyes

Flush immediately thoroughly with water for several minutes. Remove contact lenses, if present. If irritation persists, get medical attention.

First aid: skin

Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Get medical attention.

First aid: inhalation

Remove to fresh air. Respiratory support. Call for prompt medical attention.

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Trichlorotrifluoroethane, 1,1,2PARAMETER

UNIT

VALUE

Target organs

Skin,Hrt,RspSys,Eye,CNS,GI

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

Mutagenic properties

N

ECOLOGICAL PROPERTIES Theoretical oxygen demand

g g-1

0.09

Bioconcentration factor

-

2.17

Biodegradation probability

-

weeks

Global warming potential Montreal protocol

4000 -

Y

Partition coefficient

logKow

3.16

Ozone depletion potential

CFC11=1

0.8

Urban ozone formation potential

C2H4=1

0.0

Soil absorption constant

-

2.57

UV absorption

nm

<231

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3.9 Esters Acetic acid, isopropyl ester PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Acetic acid, isopropyl ester

CAS #

-

108-21-4

IUPAC name

isopropyl acetate

Common name

isopropyl acetate

Common synonym

1-methylethyl ester

Empirical formula

-

C5H10O2

Formula

CH3 O

CH3

O

CH3

Molecular mass

daltons

102.15

RTECS number

-

AI4930000

Chemical category

-

ester

Mixture

-

N

EC number

-

203-561-1

-

L

PHYSICAL PROPERTIES State Odor

-

fruity

Odor threshold

ppm

2.7

Color

-

colorless

Boiling point

o

C

88.5

Freezing point

o

C

-89

Refractive index at 20 C o

-

1.377

Specific gravity

-

Specific gravity temperature

o

Vapor density

air=1

3.52

Vapor pressure

kPa

6.33

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

3.6

Enthalpy of vaporization

kJ mol-1

37.2

Enthalpy of vaporization temperature

K

bp

Corrosivity

-

Y

Molar volume

cm3 mol-1

117.1

Coefficients of Antoine equation

coefficient A

4.55172

Temperature range of Antoine equation

C

C

0.872 20

20

coefficient B

1490.877

coefficient C

-34.098

K

234.8 to 362.0

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3.9 Esters Acetic acid, isopropyl ester PARAMETER

UNIT

Viscosity

mPas (cP)

Viscosity temperature

o

Surface tension at 20oC

mN m-1

22.3

Solubility in water at 20oC

mg kg-1

30,900

Heat of combustion at 25 C

MJ kg

Specific heat at 25 C

kJ K mol

Coefficient of thermal expansion

10-4 oC-1 (K-1)

12.5

Hildebrand solubility parameter

(MPa)1/2

17.18

dD

14.9

dP

4.5

o

o

Hansen solubility parameters, (MPa)

VALUE 25

28.19

-1

-1

1/2

0.52

C

198.81

-1

dH Henry’s law constant

8.2

atm/m -mol 3

-1

2.81E-04

HEALTH & SAFETY NFPA classification

UN risk phrases, R

Flammability

3

Health

2

Reactivity

0

R11,R36,R66,R67

US safety phrases, S

S2,S16,S26,S29,S33

UN number

-

UN/NA hazard class

3

UN packaging group

II

DOT class

3, II ISOPROPYL ACETATE

TDG class

3, II ISOPROPYL ACETATE

Autoignition temperature

o

C

479

Flash point

o

C

2.2

Flash point method

-

TCC

Explosion limit, lower

wt%

1.76

Explosion limit, upper

wt%

1220

7.2

Threshold limiting value – TWA 8h, ACGIH

mg m

1,040

Threshold limiting value – TWA 8h, ACGIH

ppm

250

Threshold limiting value – TWA 8h, OSHA

mg m-3

950

Threshold limiting value – TWA 8h, OSHA

ppm

250

Maximum exposure concentration NIOSH-IDLH

mg m-3

68,000

Maximum exposure concentration NIOSH-IDLH

ppm

1,800

Maximum concentration, any time, ACGIH

ppm

Maximum concentration, any time, OSHA

mg m

Maximum concentration, any time, OSHA

ppm

-3

100; 200 STEL -3

950 250

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3.9 Esters Acetic acid, isopropyl ester PARAMETER

UNIT

VALUE

Maximum concentration, 15 min., ACGIH

mg m-3

1,200

Maximum concentration, 15 min., ACGIH

ppm

310

Maximum concentration, 15 min., OSHA

mg m-3

1,185

Maximum concentration, 15 min., OSHA

ppm

310

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

6,750

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

20,000

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

Route of entry

Inh, Ing, Skin, Eye, Con

Ingestion

Harmful if swallowed

Skin irritation

Prolonged and/or repeated contact may can cause defatting of the skin.

Eye irritation

Causes eye irritation

Inhalation

May cause respiratory tract irritation.

First aid: eyes

Immediately flush with plenty of water, also under eyelids, for at least 15 min., get medical attention

First aid: skin

Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing. Seek medical attention if symptoms occur or irritation persists. Wash clothing before reuse. Discard items which cannot be decontaminated, including

First aid: inhalation

Remove to fresh air. If not breathing, give artificial respiration

Target organs

Eye,Skin,RspSys

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

Mutagenic properties

N

-1

32,000/4H

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

1.07

Chemical oxygen demand

g g-1

1.67

Theoretical oxygen demand

gg

Bioconcentration factor

-

Biodegradation probability

-

Hydroxyl rate constant

cm molecule s

3.40E-12

Montreal protocol

-

N

2.04

-1

0.26 days-weeks 3

-1

-1

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3.9 Esters Acetic acid, isopropyl ester PARAMETER

UNIT

VALUE

Partition coefficient

logKow

1.28

Urban ozone formation potential

C2H4=1

0.07

Soil absorption constant

-

1.17

Manufacturer

-

Eastman

Outstanding properties

high electrical resistance, inert, mild odor

Recommended for products

coatings, cosmetics, personal care, printing inks, pharmaceuticals

USE & PERFORMANCE

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Acetyl tri-n-butyl citrate PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Acetyl tri-n-butyl citrate

CAS #

-

IUPAC name

tributyl 2-acetoxy-1,2,3-propanetricarboxylate

Common name

tributyl acetylcitrate

Common synonym

acetyl tributyl citrate

Empirical formula

-

77-90-7

C20H34O8

Formula

O CHCO(CH2)3CH3 CH3COCC(O)O(CH2)3CH3 O CH2CO(CH2)3CH3 O

Molecular mass

daltons

402.5

RTECS number

-

TZ8330000

Chemical category

-

ester

Mixture

-

N

EC number

-

201-067-0

PHYSICAL PROPERTIES State

-

L

Odor

-

slight

Color

-

clear, colorless

Boiling point

o

C

327.0

Freezing point

o

C

-59.0

Refractive index at 20 C

-

o

1.4420

Specific gravity

-

1.045

Vapor density

air=1

14.10

Vapor pressure

kPa

0.007

Vapor pressure temperature

o

Molar volume

cm3 mol-1

Viscosity

mPas (cP)

Viscosity temperature

o

Solubility in water at 20oC

mg kg-1

Heat of combustion at 25 C

MJ kg

Hansen solubility parameters, (MPa)1/2

dD

16.7

dP

2.5

dH

7.4

o

C

20

C

384.3 32.7 25

-1

traces 27.00

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Acetyl tri-n-butyl citrate PARAMETER

UNIT

VALUE

Flammability

1

Health

1

HEALTH & SAFETY NFPA classification

HMIS classification

US safety phrases, S

Reactivity

0

Flammability

1

Health

1

Reactivity

0

S24/25

DOT class

Not dangerous goods

Flash point

o

Flash point method

-

COC

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

3,000

Animal testing, acute toxicity, Mouse oral LD50

mg kg-1

4,000

Route of entry

Inh, Skin, Eye, Ing

Ingestion

May be harmful if swallowed

Skin irritation

May cause skin irritation

Eye irritation

May cause eye irritation

Inhalation

May be harmful if inhaled

First aid: eyes

Immediately flush with plenty of water

First aid: skin

Immediately flush skin with water

First aid: inhalation

Remove to fresh air; get medical attention, if needed

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

C

204

ECOLOGICAL PROPERTIES Montreal protocol

-

N

Partition coefficient

logKow

4.29

USE & PERFORMANCE Recommended for products

cleaners, inks, coatings

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Amyl acetate, nPARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Amyl acetate, n-

CAS #

-

628-63-7

IUPAC name

pentyl acetate

Common name

acetic acid, amyl ester

Common synonym

1-pentyl acetate

Empirical formula

-

C7H14O2

Formula

CH3(CH2)4OCCH3 O

Molecular mass

daltons

130.21

RTECS number

-

AJ1925000

Chemical category

-

ester

Mixture

-

N

EC number

-

211-047-3

State

-

L

Odor

-

pear, banana

Odor threshold

ppm

0.054

Color

-

colorless

Boiling point

o

C

142-149.25

Freezing point

o

C

-70.0

PHYSICAL PROPERTIES

Refractive index at 20 C o

-

1.4030

Specific gravity

-

Specific gravity temperature

o

0.872

Vapor density

air=1

4.50

Vapor pressure

kPa

0.65

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

C

25

C

25 0.67 44.0

Enthalpy of vaporization

kJ mol

Enthalpy of vaporization temperature

K

bp

Corrosivity

-

N

Molar volume

cm3 mol-1

148.0

Coefficients of Antoine equation

coefficient A

5.4315

-1

coefficient B

1197

coefficient C

200

Viscosity

mPas (cP)

0.862

Viscosity temperature

o

C

25

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Amyl acetate, nPARAMETER

UNIT

VALUE

Surface tension at 20oC

mN m-1

25.13

Solubility in water at 20 C

mg kg-1

1700

o

Heat of combustion at 25 C

MJ kg

-1

32.47

Coefficient of thermal expansion

10-4 oC-1 (K-1)

10.60

Hildebrand solubility parameter

(MPa)1/2

17.39

dD

15.8

dP

3.3

o

Hansen solubility parameters, (MPa)

1/2

dH

6.1

Henry’s law constant

atm/m -mol

Relative permittivity

-

5.00

Flammability

3

Health

1

Reactivity

0

3

-1

3.91E-04

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R10,R66

US safety phrases, S

S2,S23,S25

UN number

-

1104

UN/NA hazard class

3

UN packaging group

III

DOT class

3

ICAO/IATA class, packaging group

UN 1104 3 III Amyl acetates

IMDG class, packaging group

UN 1104 3 III Amyl acetates

Autoignition temperature

o

C

375

Flash point

o

C

25

Flash point method

-

CC

Explosion limit, lower

wt%

1.10

Explosion limit, upper

wt%

Threshold limiting value – TWA 8h, ACGIH

mg m

532

Threshold limiting value – TWA 8h, ACGIH

ppm

100

Threshold limiting value – TWA 8h, NIOSH

mg m-3

525

Threshold limiting value – TWA 8h, NIOSH

ppm

100

7.50 -3

Threshold limiting value – TWA 8h, OSHA

mg m

525

Threshold limiting value – TWA 8h, OSHA

ppm

100

Maximum exposure concentration NIOSH-IDLH

mg m-3

21,640

Maximum exposure concentration NIOSH-IDLH

ppm

1,000

Maximum concentration, any time, NIOSH

mg m-3

525

Maximum concentration, any time, NIOSH

ppm

100

-3

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Amyl acetate, nPARAMETER

UNIT

VALUE

Maximum concentration, any time, OSHA

mg m-3

525

Maximum concentration, any time, OSHA

ppm

100

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

6,500

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

5,200

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

5,200/8H

Route of entry

Inh, Ing, Con

Ingestion

Harmful if swallowed

Skin irritation

May be harmful if absorbed through skin. May cause skin irritation

Eye irritation

Causes eye irritation

Inhalation

Harmful if inhaled. Causes respiratory tract irritation

First aid: eyes

Immediately flush with plenty of water

First aid: skin

Take off contaminated clothing and shoes immediately. Wash off with soap and plenty of water. Consult a physician

First aid: inhalation

Remove to fresh air, get medical attention

Target organs

Eye,Skin,RspSys,CNS

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

0.72

Theoretical oxygen demand

gg

Bioconcentration factor

-

Biodegradation probability

-

Hydroxyl rate constant

cm molecule s

5.68E-12

Montreal protocol

-

N

Partition coefficient

logKow

2.30

Urban ozone formation potential

C2H4=1

0.08

Soil absorption constant

-

1.59

2.34

-1

1.55 days 3

-1

-1

USE & PERFORMANCE Recommended for products

paints, photographic film, pharmaceutical, nail polish, printing fabrics, artificial leather

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Benzyl acetate PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Benzyl acetate

CAS #

-

140-11-4

IUPAC name

benzyl acetate

Common name

benzyl ethanoate

Common synonym

acetic acid benzyl ester

Empirical formula

-

C4H10O2

Formula O O CH3

Molecular mass

daltons

150.18

RTECS number

-

AF5075000

Chemical category

-

ester

Mixture

-

N

EC number

-

205-399-7

PHYSICAL PROPERTIES State

-

L

Odor

-

fruity

Color

-

colorless

Boiling point

o

C

213.0

Freezing point

o

C

-51.5

Refractive index at 20 C

-

1.5010

Specific gravity

-

1.060

Vapor density

air=1

5.10

Vapor pressure

kPa

0.0/13.6

Vapor pressure temperature

o

Corrosivity

-

Molar volume

cm mol

Coefficients of Antoine equation

coefficient A

2.34301

coefficient B

791.918

o

C

20.0/134.0 N 3

-1

143.7

coefficient C

-175.864

Temperature range of Antoine equation

K

319.0 to 429.0

Heat of combustion at 25oC

MJ kg-1

26.77

Hansen solubility parameters, (MPa)1/2

dD

18.3

dP

5.7

dH

6.0

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Benzyl acetate PARAMETER

UNIT

VALUE

Relative permittivity

-

5.00

Flammability

1

Health

1

Reactivity

0

Flammability

2

Health

2

Reactivity

0

HEALTH & SAFETY NFPA classification

HMIS classification

UN risk phrases, R

R36/37/38

US safety phrases, S

S26,S37/39

UN number

-

3082

UN/NA hazard class

9

UN packaging group

III

DOT class

not dangerous goods

ICAO/IATA class, packaging group

UN 3082 Environmentally hazardous substance, liquid, n.o.s. (Benzyl acetate), 9 III

Proper shipping name

Environmentally hazardous substance, liquid, n.o.s. (Benzyl acetate)

Autoignition temperature

o

C

Flash point

o

C

Flash point method

-

CC

Explosion limit, lower

wt%

0.90

Explosion limit, upper

wt%

8.40

Threshold limiting value – TWA 8h, ACGIH

ppm

Maximum concentration, any time, ACGIH

mg m

61

Maximum concentration, any time, ACGIH

ppm

10

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

2,490

Animal testing, acute toxicity, Mouse oral LD50

mg kg

830

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

460 102.0

10 -3

-1

5,000

Route of entry

Ing, Subcutaneous

Ingestion

May be harmful if swallowed

Skin irritation

Hazardous in case of skin contact (corrosive, irritant). May cause reddening of skin

Eye irritation

Causes eye irritation. Causes redness and pain

Inhalation

Causes respiratory irritation

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Benzyl acetate PARAMETER

UNIT

VALUE

First aid: eyes

Check for and remove any contact lenses. Immediately flush eyes with plenty of water for at least 15 min. Get medical aid

First aid: skin

Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Get medical aid

First aid: inhalation

If inhaled, remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid

Target organs

CNS,Kdny

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

Biodegradation probability

readily biodegradable

Montreal protocol

-

N

Partition coefficient

logKow

2.08

USE & PERFORMANCE Recommended for products

flavoring agent for food, pharmaceuticals, cosmetics and perfumes, varnish remover, inks, polishes

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380

Benzyl benzoate PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Benzyl benzoate

CAS #

-

120-51-4

IUPAC name

benzyl benzoate

Common name

phenylmethyl ester of benzoic acid

Empirical formula

-

C14H12O2

Formula

O O

Molecular mass

daltons

212.2

RTECS number

-

DG4200000

Chemical category

-

ester

Mixture

-

N

EC number

-

204-402-9

Product contents

assay >99 wt%

PHYSICAL PROPERTIES State

-

L

Odor

faint, aromatic, pleasant

Color

colorless, light yellow

Boiling point

o

C

324

Freezing point

o

C

21

Refractive index at 20oC

-

1.568

Specific gravity

-

1.12

Specific gravity temperature

o

Vapor density

air=1

7.3

Vapor pressure

kPa

0.01

Vapor pressure temperature

o

Corrosivity

-

N

Molar volume

cm3 mol-1

190.3

Viscosity

mPas (cP)

10.9

Viscosity temperature

o

C

25

C

20

C

25

Surface tension at 20 C

mN m

-1

26.6

Solubility in water at 20oC

mg kg-1

15.4

Heat of combustion at 25 C

MJ kg

Coefficient of thermal expansion

10

o

o

-4 o

35.93

-1

C (K ) -1

-1

8.1

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381

Benzyl benzoate PARAMETER

UNIT

VALUE

Hansen solubility parameters, (MPa)1/2

dD

20.0

dP

5.1

Relative permittivity

dH

5.2

-

4.80

Flammability

1

Health

1

Reactivity

0

Flammability

1

Health

2

Reactivity

0

HEALTH & SAFETY NFPA classification

HMIS classification

UN risk phrases, R

R22

US safety phrases, S

S2,S25

UN number

-

3082

UN/NA hazard class

9

UN packaging group

III

DOT class

not dangerous goods

ICAO/IATA class, packaging group

UN 3082 Environmentally hazardous substance, liquid, n.o.s. (Benzyl benzoate), 9 III

IMDG class, packaging group

UN 3082 Environmentally hazardous substance, liquid, n.o.s. (Benzyl benzoate), 9 III

Autoignition temperature

o

C

480

Flash point

o

C

148-158

Flash point method

-

CC

Explosion limit, lower

wt%

0.7

Explosion limit, upper

wt%

Animal testing, acute toxicity, Rat oral LD50

4.5 -1

mg kg

1,680

Animal testing, acute toxicity, Mouse oral LD50

mg kg

-1

1,400

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

4,000

Ingestion

Harmful if swallowed

Skin irritation

Harmful if absorbed through skin. May cause skin irritation

Eye irritation

May cause eye irritation

Inhalation

May be harmful if inhaled. May cause respiratory tract irritation

First aid: eyes

Flush eyes with water as a precaution

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Benzyl benzoate PARAMETER

UNIT

VALUE

First aid: skin

Wash off with soap and plenty of water. Consult a physician

First aid: inhalation

Move person into fresh air. If not breathing, give artificial respiration. Consult a physician

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Montreal protocol

-

N

Partition coefficient

logKow

3.31-3.97

USE & PERFORMANCE Recommended for products

repellent, resin solvent, dye carrier, laundry and dishwashing products

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383

Butyl acetate, nPARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Butyl acetate, n-

CAS #

-

123-86-4

IUPAC name

butyl acetate

Common name

acetic acid n-butyl ester

Common synonym

butyl ethanoate

Empirical formula

-

C6H12O2

Formula

CH3(CH2)3OC

CH3 O

Molecular mass

daltons

116.18

RTECS number

-

AF7350000

Chemical category

-

ester

Mixture

-

N

EC number

-

204-658-1

PHYSICAL PROPERTIES State

-

L

Odor

-

fruity

Odor threshold

ppm

0.39

Color

-

colorless

Boiling point

o

C

Freezing point

o

C

Refractive index at 20oC

-

1.3950

Specific gravity

-

0.880

Specific gravity temperature

o

Vapor density

air=1

4.0

Vapor pressure

kPa

1.533

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

0.98

Enthalpy of vaporization

kJ mol-1

36.28

Enthalpy of vaporization temperature

K

399.2

Donor number

kcal mol-1

Polarity parameter, ET(30)

kcal mol

Corrosivity

-

N

Molar volume

cm3 mol-1

132.6

126.0 -77.0

C

25

C

25

-1

15.0 38.5

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Butyl acetate, nPARAMETER

UNIT

VALUE

Coefficients of Antoine equation

coefficient A

4.26803

coefficient B

1440.231

coefficient C

-61.362

Temperature range of Antoine equation

K

332.9 to 399.2

Viscosity

mPas (cP)

0.737

Viscosity temperature

o

Surface tension at 20oC

mN m-1

25.09

Solubility in water at 20 C

mg kg

-1

11400

Heat of combustion at 25 C

MJ kg

-1

30.76

Specific heat at 25oC

kJ K-1 mol-1

228.40

Coefficient of thermal expansion

10

11.80

Hildebrand solubility parameter

(MPa)

Hansen solubility parameters, (MPa)1/2

dD

15.8

dP

3.7

o

o

C

20

-4 o

C (K ) -1

-1

1/2

17.39

dH

6.3

Henry’s law constant

atm/m3-mol-1

1.91E-02

Relative permittivity

-

5.01

Flammability

3

Health

1

Reactivity

0

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R10,R66,R67

US safety phrases, S

S2,S25

UN number

-

UN/NA hazard class

3

UN packaging group

II

Autoignition temperature

o

C

370

Flash point

o

C

27.0

Flash point method

-

TCC

Explosion limit, lower

wt%

1.20

Explosion limit, upper

wt%

1123

7.60

Threshold limiting value – TWA 8h, ACGIH

mg m

713

Threshold limiting value – TWA 8h, ACGIH

ppm

150

Threshold limiting value – TWA 8h, NIOSH

mg m-3

710

Threshold limiting value – TWA 8h, NIOSH

ppm

150

Threshold limiting value – TWA 8h, OSHA

mg m-3

710

Threshold limiting value – TWA 8h, OSHA

ppm

150

-3

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Butyl acetate, nPARAMETER

UNIT

Maximum exposure concentration NIOSH-IDLH

mg m-3

48,300

Maximum exposure concentration NIOSH-IDLH

ppm

1,700

Maximum concentration, any time, ACGIH

mg m-3

950

Maximum concentration, any time, ACGIH

ppm

200

Maximum concentration, 15 min., ACGIH

mg m-3

950

Maximum concentration, 15 min., ACGIH

ppm

200

Maximum concentration, 15 min., NIOSH

mg m-3

950

Maximum concentration, 15 min., NIOSH

ppm

200

Maximum concentration, 15 min., OSHA

mg m

Maximum concentration, 15 min., OSHA

ppm

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

13,100

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

5,000

Animal testing, acute toxicity, Rat inhalation, LC50

mg m-3

Route of entry

Inh, Ing, Con

Target organs

Eye,Skin,RspSys

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

Mutagenic properties

N

-3

VALUE

950 200

-1

2,000/4H

ECOLOG ICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

0.52

Chemical oxygen demand

gg

-1

2.32

Theoretical oxygen demand

g g-1

2.21

Bioconcentration factor

-

1.34

Biodegradation probability

-

days

Hydroxyl rate constant

cm3 molecule-1 s-1

4.20E-12

Partition coefficient

logKow

1.78

Urban ozone formation potential

C2H4=1

0.07

Soil absorption constant

-

1.32

UV absorption

nm

<256

USE & PERFORMANCE Manufacturer

BASF AG, Eastman, Celanese GmbH

Recommended for polymers

nitrocellulose, cellulose ethers, celluloid, chlorinated rubber, PVC, PS,PAr,most natural resins, plasticizers

Recommended for products

excellent solvent

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Butyl propionate, nPARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Butyl propionate, n-

CAS #

-

590-01-2

IUPAC name

n-butyl propionate

Common name

propionic acid n-butylester

Common synonym

propanoic acid, butyl ester

Empirical formula

-

C7H14O2

Formula CH3(CH2)3OC

CH2CH3 O

Molecular mass

daltons

130.2

RTECS number

-

UE8245000

Chemical category

-

ester

Mixture

-

N

EC number

-

209-669-5

-

L

PHYSICAL PROPERTIES State Odor

-

ester-like

Color

-

colorless

Boiling point

o

C

144.7

Freezing point

o

C

-75.0

Refractive index at 20 C o

-

1.4010

Specific gravity

-

Specific gravity temperature

o

0.870

Vapor density

air=1

4.50

Vapor pressure

kPa

0.38

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

C

20

C

20 0.45 39.10

Enthalpy of vaporization

kJ mol

Corrosivity

-

N

Molar volume

cm3 mol-1

149.3

Coefficients of Antoine equation

coefficient A

5.52282

coefficient B

2122.74

-1

coefficient C

-25.513

K

305.5 to 366.0

Viscosity

mPas (cP)

0.78

Viscosity temperature

o

Temperature range of Antoine equation

C

20

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Butyl propionate, nPARAMETER

UNIT

VALUE

Solubility in water at 20oC

mg kg-1

1,100

Heat of combustion at 25 C

MJ kg-1

Coefficient of thermal expansion

10

Hansen solubility parameters, (MPa)1/2

dD

15.7

dP

5.5

o

Henry’s law constant

-4 o

29.95

C (K ) -1

-1

10.70

dH

5.9

atm/m3-mol-1

6.94E-04

Flammability

3

Health

2

Reactivity

0

Flammability

3

Health

2

Reactivity

0

HEALTH & SAFETY NFPA classification

HMIS classification

UN risk phrases, R

R10

US safety phrases, S

S2

UN number

-

1914

UN/NA hazard class

3

UN packaging group

III

DOT class

UN 1914 Butyl propionates 3 III

ICAO/IATA class, packaging group

UN 1914 Butyl propionates 3 III

IMDG class, packaging group

UN 1914 Butyl propionates 3 III

Proper shipping name

butyl propionates

Autoignition temperature

o

C

427

Flash point

o

C

36

Flash point method

-

CC

Explosion limit, lower

wt%

1.10

Explosion limit, upper

wt%

6.80

Animal testing, acute toxicity, Rat oral LD50

mg kg

3,200

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

500/24H

Eye irritation

Causes eye irritation

First aid: eyes

Immediately flush with plenty of water for at least 15 minutes. Get medical attention

First aid: skin

Wash with soap and water. Remove contaminated clothing and shoes. Get medical attention

-1

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Butyl propionate, nPARAMETER

UNIT

VALUE

First aid: inhalation

Move to fresh air. Treat symptomatically. Get medical attention if symptoms get medical attention

Chronic effects

Prolonged or repeated skin contact may cause drying, cracking

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

1.02

Biological oxygen demand, 20 days

g g-1

1.40

Montreal protocol

-

N

Partition coefficient

logKow

2.34

USE & PERFORMANCE Manufacturer

Chemos GmbH, Eastman Chem.

Recommended for products

paints, perfumes, pharmaceutical

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389

Diethyl oxalate PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Diethyl oxalate

CAS #

-

95-92-1

IUPAC name

diethyl oxalate

Common name

ethanedioic acid

Common synonym

oxalic acid diethyl ester

Empirical formula

-

C6H10O4

Formula

CH3CH2OCCOCH2CH3 OO

Molecular mass

daltons

146.16

RTECS number

-

RO2800000

Chemical category

-

ester

Mixture

-

N

EC number

-

202-464-1

PHYSICAL PROPERTIES State

-

L

Odor

-

mild

Color

-

colorless

Boiling point

o

C

185.4

Freezing point

o

C

-40.60

Refractive index at 20 C o

-

1.410

Specific gravity

-

Specific gravity temperature

o

1.080

Vapor density

air=1

5.04

Vapor pressure

kPa

0.0552

Vapor pressure temperature

o

C

20

C

25 63.50

Enthalpy of vaporization

kJ mol

Enthalpy of vaporization temperature

K

Corrosivity

-

Molar volume

cm mol

Coefficients of Antoine equation

coefficient A

5.98158

coefficient B

2537.141

Temperature range of Antoine equation

-1

298.2 N 3

-1

136.2

coefficient C

-34.06

K

320.5 to 458.8

Viscosity

mPas (cP)

Viscosity temperature

o

C

1.618 30

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Diethyl oxalate PARAMETER Surface tension at 20oC

UNIT

VALUE

mN m-1

32.22

Heat of combustion at 25 C

MJ kg-1

Coefficient of thermal expansion

10

Hansen solubility parameters, (MPa)1/2

dD

16.2

dP

8.0

o

-4 o

20.33

C (K ) -1

10.70

-1

dH

8.8

Henry’s law constant

atm/m3-mol-1

4.35E-06

Relative permittivity

-

8.20

Flammability

2

Health

2

HEALTH & SAFETY NFPA classification

HMIS classification

Reactivity

1

Flammability

2

Health

2

Reactivity

0

UN risk phrases, R

R22,R36

US safety phrases, S

S2,S23

UN number

-

UN/NA hazard class

6.1

UN packaging group

II

2525

DOT class

6.1, II

ICAO/IATA class, packaging group

UN 2525 ETHYL OXALATE, 6.1, II

IMDG class, packaging group

UN 2525 ETHYL OXALATE, 6.1, II

Proper shipping name

ethyl oxalate (Diethyl Oxalate)

Flash point

o

Flash point method

-

OC

Explosion limit, lower

wt%

1.50

Explosion limit, upper

wt%

C

76

8.40

Animal testing, acute toxicity, Rat oral LD50

mg kg

400

Animal testing, acute toxicity, Mouse oral LD50

mg kg-1

2,000

Route of entry

Inh, Ing, Con

Ingestion

Harmful if swallowed

Skin irritation

Causes skin irritation

Eye irritation

Causes serious eye irritation

Target organs

RspSys,CNS,Kdny,Bld

Carcinogenicity IARC

N

Carcinogenicity NTP

N

-1

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Diethyl oxalate PARAMETER

UNIT

Carcinogenicity OSHA

N

VALUE

ECOLOGICAL PROPERTIES Theoretical oxygen demand

g g-1

1.42

Bioconcentration factor

-

1.81

Biodegradation probability

-

days

Hydroxyl rate constant

cm3 molecule-1 s-1

2.89E-12

Montreal protocol

-

N

Partition coefficient

logKow

0.56

Urban ozone formation potential

C2H4=1

0.04

Soil absorption constant

-

0.73

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Diethylene glycol monobutyl ether acetate PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Diethylene glycol monobutyl ether acetate

CAS #

-

IUPAC name

2-(2-butoxyethoxy)ethyl acetate

Common name

2-(2-butoxyethoxy)ethanol acetate

Common synonym

butyl carbinol acetate

Empirical formula

-

Formula

124-17-4

C10H20O4 CH3COCH2CH2OCH2CH2O(CH2)3CH3 O

Molecular mass

daltons

204.3

RTECS number

-

KJ9275000

Chemical category

-

ester

Mixture

-

N

EC number

-

204-685-9

State

-

L

Color

-

colorless

Boiling point

o

C

245.0

Freezing point

o

C

-32.0

PHYSICAL PROPERTIES

Refractive index at 20 C o

-

1.4260

Specific gravity

-

Specific gravity temperature

o

0.980

Vapor density

air=1

7.05

Vapor pressure

kPa

0.0053

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

0.003

Corrosivity

-

N

Molar volume

cm mol

Viscosity

mPas (cP)

Viscosity temperature

o

Surface tension at 20oC

mN m-1

30.0

Solubility in water at 20 C

mg kg

65,000

Heat of combustion at 25oC

MJ kg-1

28.21

Hildebrand solubility parameter

(MPa)

17.18

C

20

C

20

3

o

C

-1

208.2 3.02 25

-1

1/2

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Diethylene glycol monobutyl ether acetate PARAMETER

UNIT

VALUE

Hansen solubility parameters, (MPa)1/2

dD

16.0

dP

4.1

Henry’s law constant

dH

8.2

atm/m3-mol-1

9.91E-08

Flammability

1

Health

1

Reactivity

0

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R19,R36/37

US safety phrases, S

S26,S39

DOT class

not regulated

Autoignition temperature

o

C

295

Flash point

o

C

110

Flash point method

-

OC

Explosion limit, lower

wt%

0.60

Explosion limit, upper

wt%

Animal testing, acute toxicity, Rat oral LD50

10.70 -1

mg kg

6,500

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

-1

14,500

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

Route of entry

Inh, Ing, Con

Ingestion

May cause gastrointestinal irritation with nausea

Skin irritation

May cause skin irritation

Eye irritation

May cause eye irritation

Target organs

CNS,Skin,Kdny,RspSys,Spleen

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

8,693/4H

ECOLOGICAL PROPERTIES Theoretical oxygen demand

g g-1

1.25

Bioconcentration factor

-

1.59

Biodegradation probability

-

days

Hydroxyl rate constant

cm3 molecule-1 s-1

3.41E-11

Montreal protocol

-

N

Partition coefficient

logKow

1.30

Urban ozone formation potential

C2H4=1

0.37

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Diethylene glycol monobutyl ether acetate PARAMETER

UNIT

VALUE

Soil absorption constant

-

0.39

USE & PERFORMANCE Manufacturer

BASF AG, Eastman Chem., Brenntag NV

Recommended for polymers

PVC

Recommended for products

Coatings, printing inks industries. Can improve the processing characteristics of PVC plastisols.

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395

Diethylene glycol monoethyl ether acetate PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Diethylene glycol monoethyl ether acetate

CAS #

-

IUPAC name

2-(2-ethoxyethoxy)ethyl acetate

Common name

ethyl carbitol acetate

Common synonym

carbitolacetate

Empirical formula

-

Formula

112-15-2

C8H16O4 CH3COCH2CH2OCH2CH2OCH2CH3 O

Molecular mass

daltons

176.24

RTECS number

-

KK8925000

Chemical category

-

ester

Mixture

-

M

EC number

-

203-940-1

State

-

L

Color

-

colorless

Boiling point

o

C

217.4

Freezing point

o

C

-25.0

PHYSICAL PROPERTIES

Refractive index at 20 C

-

o

1.4210

Specific gravity

-

Specific gravity temperature

o

Vapor density

air=1

6.10

Vapor pressure

kPa

0.007

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

0.01

Evaporation rate

ether=1

1512.7

Enthalpy of vaporization

kJ mol

47.5

Enthalpy of vaporization temperature

K

bp

Molar volume

cm3 mol-1

175.1

Viscosity

mPas (cP)

2.8

Viscosity temperature

o

Surface tension at 20oC

mN m-1

31.40

Solubility in water at 20 C

mg kg

-1

infinite

Heat of combustion at 25 C

MJ kg

-1

25.27

Specific heat at 25oC

kJ K-1 mol-1

o

o

1.012

C

20

C

20

-1

C

20

396.64

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Diethylene glycol monoethyl ether acetate PARAMETER

UNIT

VALUE

Coefficient of thermal expansion

10-4 oC-1 (K-1)

9.25

Hildebrand solubility parameter

(MPa)1/2

17.39

dD

16.2

dP

5.1

Hansen solubility parameters, (MPa)

1/2

dH Henry’s law constant

9.2

atm/m -mol 3

-1

5.62E-08

HEALTH & SAFETY NFPA classification

Flammability

1

Health

2

Reactivity

0

UN risk phrases, R

R19,R36/37

US safety phrases, S

S26,S39

DOT class

not regulated

Autoignition temperature

o

C

Flash point

o

C

Flash point method

-

CC

Explosion limit, lower

wt%

1.00

Explosion limit, upper

wt%

19.40

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

11,000

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

15,000

Route of entry

Inh, Ing, Con

Ingestion

May be harmful if swallowed

Skin irritation

May cause skin irritation

Eye irritation

Causes serious eye irritation

Inhalation

May cause respiratory tract irritation

Target organs

Lung,Kdny

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

266 91

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

0.25

Biological oxygen demand, 20 days

g g-1

0.91

Theoretical oxygen demand

gg

1.09

-1

Bioconcentration factor

-

0.31

Biodegradation probability

-

days-weeks

Hydroxyl rate constant

cm3 molecule-1 s-1

2.72E-11

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Diethylene glycol monoethyl ether acetate PARAMETER

UNIT

VALUE

Montreal protocol

-

N

Partition coefficient

logKow

0.32

Urban ozone formation potential

C2H4=1

0.40

Soil absorption constant

-

-0.20

USE & PERFORMANCE Manufacturer

Eastman Chem., TCI America, SigmaAldrich

Recommended for products

coatings, printing inks industries

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

398

Dimethyl carbonate PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Dimethyl carbonate

CAS #

-

616-38-6

IUPAC name

dimethoxymethanone

Common name

methyl carbonate

Common synonym

carbonic acid dimethyl ester

Acronym

-

DMC

Empirical formula

-

C3H6O3

Formula

O

O O

Molecular mass

daltons

90.08

RTECS number

-

FG0450000

Chemical category

-

ester

Mixture

-

N

EC number

-

210-478-4

-

L

PHYSICAL PROPERTIES State Odor

-

pleasant

Color

-

colorless

Boiling point

o

C

Freezing point

o

C

Refractive index at 20oC

-

90 0.5 1.369

Specific gravity

-

Specific gravity temperature

o

C

17

1.069

Vapor pressure

kPa

5.3

Vapor pressure temperature

o

C

20

Donor number

kcal mol-1

17.2

Polarity parameter, ET(30)

kcal mol

38.2

-1

Corrosivity

-

N

Molar volume

cm3 mol-1

84.2

Viscosity

mPas (cP)

0.585

Viscosity temperature

o

Heat of combustion at 25oC

MJ kg-1

14.38

Hildebrand solubility parameter

(MPa)

19.92

C

25 1/2

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

399

Dimethyl carbonate PARAMETER

UNIT

VALUE

Hansen solubility parameters, (MPa)1/2

dD

15.5

dP

8.6

dH

9.7

Flammability

3

Health

1

HEALTH & SAFETY NFPA classification

HMIS classification

UN risk phrases, R

Reactivity

1

Flammability

3

Health

1

Reactivity

1

R11

US safety phrases, S

S2,S9,S16

UN number

-

UN/NA hazard class

3

UN packaging group

II

DOT class

3, II

ICAO/IATA class, packaging group

UN 1161 DIMETHYL CARBONATE, 3, II

1161

IMDG class, packaging group

UN 1161 DIMETHYL CARBONATE, 3, II

Proper shipping name

dimethyl carbonate

Autoignition temperature

o

C

Flash point

o

C

Flash point method

-

TCC

Explosion limit, lower

wt%

4.22

Explosion limit, upper

wt%

Animal testing, acute toxicity, Rat oral LD50

458 17

12.87 -1

mg kg

9,000-13,000

Animal testing, acute toxicity, Mouse oral LD50

mg kg

-1

6,000

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

5,000

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

140 mg/L/4 hours

Route of entry

Skin, Eye, Inh

Skin irritation

May cause skin irritation, dermatitis

Eye irritation

May cause pain and irritation

Inhalation

May cause irritation to upper respiratory tract and mucous membranes

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

400

Dimethyl carbonate PARAMETER

UNIT

VALUE

Bioconcentration factor

-

3.2

Montreal protocol

-

N

Partition coefficient

logKow

0.263

ECOLOGICAL PROPERTIES

USE & PERFORMANCE Manufacturer

Enichem S.P.A., Merck Schuchardt OHG

Outstanding properties

DMC possesses properties of nontoxicity and biodegradability

Potential substitute for

methyl halides (or dimethyl sulfate) and phosgene for methylation and carbonylation

Recommended for products

paints, coatings, fuel additive, batteries

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

401

Dimethyl glutarate PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Dimethyl glutarate

CAS #

-

1119-40-0

IUPAC name

dimethyl pentanedioate

Common name

dimethyl pentanedioate

Common synonym

pentanedioic acid dimethyl ester

Empirical formula

-

Formula

C7H12O4

O

O O

O

Molecular mass

daltons

160.17

Chemical category

-

ester

Mixture

-

N

EC number

-

214-277-2

Product contents

min. 98%

PHYSICAL PROPERTIES State

-

L

Odor

-

faint, agreeable

Boiling point at 752 mm Hg

o

C

213.5-214

Freezing point

o

C

-42.5

Refractive index at 20 C

-

o

1.424

Specific gravity

-

1.087

Vapor pressure

kPa

0.013

Vapor pressure temperature

o

C

20

Molar volume

cm mol

Solubility in water at 20oC

mg kg-1

4,300

Heat of combustion at 25 C

MJ kg

22.64

3

o

Hansen solubility parameters, (MPa)

1/2

-1

-1

151.9

dD

16.1

dP

7.7

dH

8.3

HEALTH & SAFETY US safety phrases, S

S25

DOT class

not regulated

ICAO/IATA class, packaging group

not regulated

IMDG class, packaging group

not regulated

Autoignition temperature

o

C

365

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

402

Dimethyl glutarate PARAMETER

UNIT

Flash point

o

Explosion limit, lower

wt%

Explosion limit, upper

wt%

7.9

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

8,181

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

2,250

Route of entry

Skin, Eye, Inh

Skin irritation

May cause skin irritation

Eye irritation

May cause eye irritation

Inhalation

Causes respiratory tract irritation

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

C

VALUE 103-107 0.9

ECOLOGICAL PROPERTIES Montreal protocol

-

N

Partition coefficient

logKow

0.62

USE & PERFORMANCE Manufacturer

DuPont, Klaus F. Meyer GmbH, Merck Schuchardt OHG

Recommended for products

Coatings, cleaners, resins. Removing old paint or graffiti

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

403

Ethoxyethyl acetate, 2PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Ethoxyethyl acetate, 2-

CAS #

-

111-15-9

IUPAC name

2-ethoxyethyl acetate

Common name

ethylene glycol monoethyl ether acetate

Common synonym

cellosolve acetate

Empirical formula

-

C6H12O3

Formula

CH3COCH2CH2OCH2CH3 O

Molecular mass

daltons

132.18

RTECS number

-

KK8225000

Chemical category

-

ester

Mixture

-

N

EC number

-

203-839-2

Product contents

assay 98%

PHYSICAL PROPERTIES State

-

L

Odor

-

mild

Color

-

colorless

Boiling point

o

C

156.1

Freezing point

o

C

-61.70

Refractive index at 20 C

-

1.4030

Specific gravity

-

0.967

Specific gravity temperature

o

Vapor density

air=1

4.56

Vapor pressure

kPa

0.31

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

0.20

Enthalpy of vaporization

kJ mol-1

52.68

Enthalpy of vaporization temperature

K

298.2

Corrosivity

-

Molar volume

cm mol

Viscosity

mPas (cP)

Viscosity temperature

o

Surface tension at 20oC

mN m-1

31.80

Solubility in water at 20 C

mg kg

230,000

o

C

25

C

25

N 3

o

C

-1

136.1 1.025 25

-1

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404

Ethoxyethyl acetate, 2PARAMETER

UNIT

VALUE

Heat of combustion at 25oC

MJ kg-1

25.89

Coefficient of thermal expansion

10-4 oC-1 (K-1)

11.60

Hildebrand solubility parameter

(MPa)1/2

17.80

Hansen solubility parameters, (MPa)1/2

dD

15.9

dP

4.7

dH

10.6

Henry’s law constant

atm/m3-mol-1

3.62E-06

Relative permittivity

-

7.57

Flammability

2

Health

1

HEALTH & SAFETY NFPA classification

Reactivity UN risk phrases, R

R60,R61,R20/21/22

US safety phrases, S

S53,S45

UN number

-

UN/NA hazard class

3

UN packaging group

III

1172

DOT class

3, III

ICAO/IATA class, packaging group

UN 1172 ETHYLENE GLYCOL MONOETHYL ETHER ACETATE, 3, III

IMDG class, packaging group

UN 1172 ETHYLENE GLYCOL MONOETHYL ETHER ACETATE, 3, III

Proper shipping name

ethylene glycol monoethyl ether acetate

Autoignition temperature

o

C

379

Flash point

o

C

52

Flash point method

-

CC

Explosion limit, lower

wt%

1.70

Explosion limit, upper

wt%

14.00

Threshold limiting value – TWA 8h, ACGIH

mg m

27

Threshold limiting value – TWA 8h, ACGIH

ppm

5

Threshold limiting value – TWA 8h, NIOSH

mg m-3

2.7

Threshold limiting value – TWA 8h, NIOSH

ppm

0.5

Threshold limiting value – TWA 8h, OSHA

mg m-3

540

Threshold limiting value – TWA 8h, OSHA

ppm

100

Maximum exposure concentration NIOSH-IDLH

ppm

500

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

2,700

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

10,500

-3

-1

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Ethoxyethyl acetate, 2PARAMETER

UNIT

VALUE

Route of entry

Inh, Abs, Ing, Con

Ingestion

May be harmful if swallowed

Skin irritation

Causes mild skin irritation

Eye irritation

Causes eye irritation

First aid: skin

Immediately flush with plenty of for at least 15 minutes while removing contaminated clothing and shoes. Get medical attention. Wash contaminated clothing before reuse. Destroy or thoroughly clean contaminated shoes.

First aid: inhalation

Move to fresh air. Treat symptomatically. Get medical attention if symptoms persist.

Target organs

RspSys,Eye,GI

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

Mutagenic properties

Y

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

0.65

Chemical oxygen demand

gg

-1

1.76

Theoretical oxygen demand

gg

-1

Bioconcentration factor

-

0.26

Biodegradation probability

-

days-weeks

Hydroxyl rate constant

cm3 molecule-1 s-1

1.30E-11

Montreal protocol

-

N

1.81

Partition coefficient

logKow

0.59

Urban ozone formation potential

C2H4=1

0.26

Soil absorption constant

-

0.32

-

Sigma-Aldrich

USE & PERFORMANCE Manufacturer

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

406

Ethyl acetate PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Ethyl acetate

CAS #

-

141-78-6

IUPAC name

ethyl acetate

Common name

acetoxyethane

Common synonym

ethyl ethanoate

Acronym

-

ETACET8

Empirical formula

-

C4H8O2

Formula

CH3COCH2CH3 O

Molecular mass

daltons

88.12

RTECS number

-

AH5425000

Chemical category

-

ester

Mixture

-

N

EC number

-

205-500-4

Product contents

ethyl acetate 100 wt%

PHYSICAL PROPERTIES State

-

L

Odor

-

ether, fruity

Odor threshold

ppm

3.9

Color

-

colorless

Boiling point

o

C

77.1

Freezing point

o

C

-53.60

Refractive index at 20 C

-

1.3700

Specific gravity

-

0.895

Specific gravity temperature

o

Vapor density

air=1

3.0

Vapor pressure

kPa

11.46

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

4.10

Evaporation rate

ether=1

3.0

o

C

25

C

Enthalpy of vaporization

kJ mol

Enthalpy of vaporization temperature

K

Acceptor number

-

20

31.94

-1

350.3 9.3

Donor number

kcal mol

-1

17.1

Polarity parameter, ET(30)

kcal mol-1

38.1

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Ethyl acetate PARAMETER

UNIT

VALUE

Corrosivity

-

N

Molar volume

cm3 mol-1

98.6

Coefficients of Antoine equation

coefficient A

4.22809

coefficient B

1245.702

coefficient C

-55.189

Temperature range of Antoine equation

K

288.7 to 349.0

Viscosity

mPas (cP)

0.426

Viscosity temperature

o

C

25

Surface tension at 20 C

mN m

Solubility in water at 20oC

mg kg-1

Heat of combustion at 25 C

MJ kg

Coefficient of thermal expansion

10

Hildebrand solubility parameter

(MPa)1/2

18.61

dD

15.8

dP

5.3

o

o

Hansen solubility parameters, (MPa)

1/2

-4 o

23.75

-1

80000 25.7

-1

C (K ) -1

-1

dH

13.2

7.2

Henry’s law constant

atm/m -mol

Relative permittivity

-

6.02

Flammability

3

Health

1

Reactivity

0

3

-1

1.38E-04

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R11,R36,R66,R67

US safety phrases, S

S16,S26,S33

UN number

-

1173

UN/NA hazard class

3

UN packaging group

II

DOT class

3, II

ICAO/IATA class, packaging group

UN 1173 ETHYL ACETATE, 3, II

IMDG class, packaging group

UN 1173 ETHYL ACETATE, 3, II

Proper shipping name

flammable liquid n.o.s. (ethylacetate)

Autoignition temperature

o

C

426

Flash point

o

C

-4.0

Flash point method

-

TCC

Explosion limit, lower

wt%

2.20

Explosion limit, upper

wt%

Threshold limiting value – TWA 8h, ACGIH

mg m

11.50 -3

1440

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Ethyl acetate PARAMETER

UNIT

VALUE

Threshold limiting value – TWA 8h, ACGIH

ppm

400

Threshold limiting value – TWA 8h, NIOSH

mg m-3

1,400

Threshold limiting value – TWA 8h, NIOSH

ppm

400

Threshold limiting value – TWA 8h, OSHA

mg m-3

1,400

Threshold limiting value – TWA 8h, OSHA

ppm

400 36,600

Maximum exposure concentration NIOSH-IDLH

mg m

Maximum exposure concentration NIOSH-IDLH

ppm

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

5,620

Animal testing, acute toxicity, Mouse oral LD50

mg kg

4,100

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

20,000

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

16,000/6H

Route of entry

Inh, Ing, Con

Target organs

Eye,Skin,RspSys

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

Mutagenic properties

Y

-3

2,000 -1

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

1.00

Biological oxygen demand, 20 days

g g-1

1.43

Chemical oxygen demand

gg

-1

1.69

Theoretical oxygen demand

gg

-1

Bioconcentration factor

-

1.48

Biodegradation probability

-

days-weeks

Montreal protocol

-

N

Partition coefficient

logKow

Hydroxyl rate constant

cm molecule s

1.60E-12

Urban ozone formation potential

C2H4=1

0.04

Soil absorption constant

-

0.94

UV absorption

nm

<254

3

1.82

0.25 -1

-1

USE & PERFORMANCE Outstanding properties

excellent resin solubility

Recommended for products

semiconductor chips

Features & benefits

compatible with many resist polymers

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

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Ethyl acetoacetate PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Ethyl acetoacetate

CAS #

-

141-97-9

IUPAC name

ethyl 3-oxobutanoate

Common name

diacetic ether

Common synonym

3-oxybutanoic acid ethyl ether

Acronym

-

EAA

Empirical formula

-

C6H10O3

Formula

CH3CCHCOCH2CH3 O

O

Molecular mass

daltons

130.14

RTECS number

-

AK5250000

Chemical category

-

ester

Mixture

-

N

EC number

-

205-516-1

State

-

L

Odor

-

fruity

Color

-

colorless

Boiling point

o

C

180.8

Freezing point

o

C

-43.0

PHYSICAL PROPERTIES

Refractive index at 20 C

-

1.4180

Specific gravity

-

1.021

Specific gravity temperature

o

Vapor density

air=1

4.48

Vapor pressure

kPa

0.1

Vapor pressure temperature

o

C

20

Polarity parameter, ET(30)

kcal mol-1

49.4

Acid dissociation constant

-

10.68

Corrosivity

-

N

Molar volume

cm3 mol-1

127.3

Coefficients of Antoine equation

coefficient A

5.16327

o

C

20

coefficient B

2189.547

coefficient C

-29.184

Temperature range of Antoine equation

K

301.6 to 453.9

Viscosity

mPas (cP)

1.696

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

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Ethyl acetoacetate PARAMETER

UNIT

Viscosity temperature

o

VALUE

C

20

Solubility in water at 20 C

mg kg-1

Heat of combustion at 25 C

MJ kg

Coefficient of thermal expansion

10-4 oC-1 (K-1)

9.64

Hildebrand solubility parameter

(MPa)1/2

19.74

dD

16.5

dP

7.3

o

o

Hansen solubility parameters, (MPa)

1/2

28600 25.15

-1

dH

8.3

Henry’s law constant

atm/m -mol

Relative permittivity

-

15.90

Flammability

2

Health

2

Reactivity

0

3

1.09E-06

-1

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R36

US safety phrases, S

S24

UN/NA hazard class

not regulated

DOT class

not regulated

Autoignition temperature

o

C

295

Flash point

o

C

68

Flash point method

-

SCC

Explosion limit, lower

wt%

1.40

Explosion limit, upper

wt%

9.50

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

3,980

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

5,000

Route of entry

Ing, Eye

Ingestion

Harmful if swallowed

Skin irritation

Causes skin irritation

Eye irritation

Causes eye irritation

First aid: eyes

Flush with copious amounts of water for at least 15 minutes. Remove contact lenses. Protect unharmed eye. Keep eye wide open while rinsing. Call physician.

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

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Ethyl acetoacetate PARAMETER

UNIT

VALUE

First aid: skin

Immediately flush with plenty of for at least 15 minutes while removing contaminated clothing and shoes. Get medical attention. Wash contaminated clothing before reuse. Destroy or thoroughly clean contaminated shoes.

First aid: inhalation

Move to fresh air. Treat symptomatically. Get medical attention if symptoms persist.

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Montreal protocol

-

N

Partition coefficient

logKow

0.25

USE & PERFORMANCE Recommended for polymers

unsaturated polyester resins

Recommended for products

coatings, pharmaceuticals, solvents for fragrances, pesticides

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

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Ethyl formate PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Ethyl formate

CAS #

-

109-94-4

IUPAC name

ethyl formate

Common name

ethyl ester of formic acid

Acronym

-

ETFORM8

Empirical formula

-

C3H6O2

Formula

H O

O

Molecular mass

daltons

74.1

RTECS number

-

LQ8400000

Chemical category

-

ester

Mixture

-

N

EC number

-

203-721-0

Product contents

ethyl formate >98 wt%

PHYSICAL PROPERTIES State

-

L

Odor

-

characteristic

Color

-

217.96

Boiling point

o

C

54.3

Freezing point

o

C

-80

Refractive index at 20 C o

-

1.36

Specific gravity

-

Specific gravity temperature

o

0.92

Vapor density

air=1

2.55

Vapor pressure

kPa

25.6

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

6.93

Enthalpy of vaporization

kJ mol-1

21.74

Enthalpy of vaporization temperature

K

C

20

C

20

327.5

Polarity parameter, ET(30)

kcal mol

-1

40.9

Molar volume

cm3 mol-1

80.9

Coefficients of Antoine equation

coefficient A

7.00375

Viscosity

coefficient B

1121.33

coefficient C

217.96

mPas (cP)

0.412

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Ethyl formate PARAMETER

UNIT

VALUE

Viscosity temperature

o

Surface tension at 20 C

mN m-1

24.0

Solubility in water at 20 C

mg kg

105,000

Heat of combustion at 25oC

MJ kg-1

Coefficient of thermal expansion

10

Hildebrand solubility parameter

(MPa)

Hansen solubility parameters, (MPa)1/2

dD

15.5

dP

8.4

o

o

C

20

-4 o

-1

21.74

C (K ) -1

-1

1/2

14.1 20.52

dH

8.4

Henry’s law constant

atm/m3-mol-1

2.20E-04

Relative permittivity

-

7.10

Flammability

3

Health

2

Reactivity

0

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R11,R20/22,R36/37

US safety phrases, S

S9,S16,S24,S26,S33

UN number

-

UN/NA hazard class

3

UN packaging group

II

1190

DOT class

3, II

ICAO/IATA class, packaging group

UN 1190 ETHYL FORMATE, 3, II

IMDG class, packaging group

UN 1190 ETHYL FORMATE, 3, II

Proper shipping name

ethyl formate

Autoignition temperature

o

C

Flash point

o

C

Flash point method

-

CC

Explosion limit, lower

wt%

2.7

Explosion limit, upper

wt%

16.5

Threshold limiting value – TWA 8h, ACGIH

mg m-3

303

Threshold limiting value – TWA 8h, ACGIH

ppm

100

455 -20

Threshold limiting value – TWA 8h, NIOSH

mg m

300

Threshold limiting value – TWA 8h, NIOSH

ppm

100

Threshold limiting value – TWA 8h, OSHA

mg m-3

300

Threshold limiting value – TWA 8h, OSHA

ppm

100

Maximum exposure concentration NIOSH-IDLH

ppm

Animal testing, acute toxicity, Rat oral LD50

mg kg

-3

1,500 -1

1,850

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Ethyl formate PARAMETER

UNIT

VALUE

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

20,000

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

8,000/4H

Route of entry

Ing, Inh, Skin, Subcutaneous

Ingestion

Harmful if swallowed. May cause irritation of the digestive tract.

Skin irritation

Causes skin irritation.

Eye irritation

Causes skin irritation.

Inhalation

Harmful if inhaled. Causes respiratory tract irritation

First aid: eyes

Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.

First aid: skin

Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.

First aid: inhalation

Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical attention.

Chronic effects

Causes blood effects.

Target organs

Kdny, CNS, Blood

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Montreal protocol

-

N

Partition coefficient

logKow

0.23

USE & PERFORMANCE Recommended for products

insecticides, food flavoring agents

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

415

Ethyl propionate PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Ethyl propionate

CAS #

-

105-37-3

IUPAC name

ethyl propanoate

Common name

propionic acid, ethyl ester

Empirical formula

-

Formula

C5H10O2

CH3CH2COCH2CH3 O

Molecular mass

daltons

102.15

RTECS number

-

UF3675000

Chemical category

-

ester

Mixture

-

N

EC number

-

203-291-4

Product contents

ethyl propionate >99 wt%

PHYSICAL PROPERTIES State

-

L

Odor

-

fruity, rum

Color

-

colorless

Boiling point

o

C

Freezing point

o

C

Refractive index at 20oC

-

1.3810

Specific gravity

-

0.884

Specific gravity temperature

o

Vapor density

air=1

3.50

Vapor pressure

kPa

4.97

Vapor pressure temperature

o

Enthalpy of vaporization

kJ mol-1

33.88

Enthalpy of vaporization temperature

K

372.2

Acceptor number

-

Donor number

kcal mol

99.1 -73.85

C

25

C

25

6.7 -1

17.1

Corrosivity

-

N

Molar volume

cm3 mol-1

115.6

Coefficients of Antoine equation

coefficient A

4.14526

Temperature range of Antoine equation

coefficient B

1274.735

coefficient C

-64.218

K

306.9 to 371.5

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Ethyl propionate PARAMETER

UNIT

Viscosity

mPas (cP)

Viscosity temperature

o

Surface tension at 20oC

mN m-1

24.27

Solubility in water at 20oC

mg kg-1

22000

Heat of combustion at 25 C

MJ kg

Specific heat at 25 C

kJ K mol

Coefficient of thermal expansion

10-4 oC-1 (K-1)

12.60

Hildebrand solubility parameter

(MPa)1/2

17.18

dD

15.5

dP

6.1

o

o

Hansen solubility parameters, (MPa)

VALUE 30

28.58

-1

-1

1/2

0.473

C

196.23

-1

dH

4.9

Henry’s law constant

atm/m -mol

Relative permittivity

-

5.65

Flammability

3

Health

1

Reactivity

0

3

-1

2.53E-04

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R11

US safety phrases, S

S2,S16,S23,S24,S29,S33

UN number

-

1195

UN/NA hazard class

3

UN packaging group

II

DOT class

UN 1195 flammable liquid, n.o.s. (ethyl propionate), 3, II

ICAO/IATA class, packaging group

UN 1195 ETHYL PROPIONATE, 3, II

IMDG class, packaging group

UN 1195 ETHYL PROPIONATE, 3, II

Proper shipping name

flammable liquid, n.o.s. (ethyl propionate)

Autoignition temperature

o

C

440

Flash point

o

C

12

Flash point method

-

TCC

Explosion limit, lower

wt%

1.90

Explosion limit, upper

wt%

Animal testing, acute toxicity, Rat oral LD50

11.00 -1

mg kg

8732

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

-1

14256

Route of entry

Con, Ing Eye

Skin irritation

May cause skin irritation.

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417

Ethyl propionate PARAMETER

UNIT

VALUE

Eye irritation

May cause serious eye irritation

Inhalation

May cause respiratory tract irritation.

First aid: eyes

Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

Mutagenic properties

Y

ECOLOGICAL PROPERTIES Theoretical oxygen demand

g g-1

2.04

Bioconcentration factor

-

0.69

Biodegradation probability

-

days-weeks

Hydroxyl rate constant

cm3 molecule-1 s-1

2.10E-12

Montreal protocol

-

N

Partition coefficient

logKow

1.21

Urban ozone formation potential

C2H4=1

0.04

Soil absorption constant

-

1.07

USE & PERFORMANCE Recommended for products

Perfumery and fragrance

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418

Ethylene carbonate PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Ethylene carbonate

CAS #

-

96-49-1

IUPAC name

1,3-dioxolan-2-one

Common name

1,3-dioxolane-2-one

Common synonym

ethylene glycol carbonate

Empirical formula

-

C3H4O3

Formula

O O O

Molecular mass

daltons

88.07

RTECS number

-

FF9550000

Chemical category

-

ester

Mixture

-

N

EC number

-

202-510-0

Product contents

ethylene carbonate 99 wt%

PHYSICAL PROPERTIES State

-

S

Odor

-

fruity

Color

colorless to yellowish

Boiling point

o

C

248

Freezing point

o

C

36

Refractive index at 20oC

-

1.4160

Specific gravity

-

1.322

Specific gravity temperature

o

Vapor density

air=1

3.04

Vapor pressure

kPa

0.0013

Vapor pressure temperature

o

Enthalpy of vaporization

kJ mol-1

56.48

Enthalpy of vaporization temperature

K

423

Viscosity

mPas (cP)

Viscosity temperature

o

Donor number

kcal mol-1

16.4

Polarity parameter, ET(30)

kcal mol-1

48.6

Molar volume

cm mol

66.0

C

40

C

20

C

3

Solubility in water at 20 C

mg kg

Heat of combustion at 25oC

MJ kg-1

o

1.93 25

-1

-1

soluble 14.9

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Ethylene carbonate PARAMETER

UNIT

Hildebrand solubility parameter Hansen solubility parameters, (MPa)

1/2

VALUE

(MPa)1/2

25.43

dD

18.0

dP

21.7

dH

5.1

Flammability

1

Health

2

Reactivity

1

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R41

US safety phrases, S

S26,S39

UN/NA hazard class

not regulated

UN packaging group

not regulated

DOT class

not regulated

ICAO/IATA class, packaging group

not regulated

IMDG class, packaging group

not regulated

Flash point

o

Flash point method

-

CC

Explosion limit, lower

wt%

3.6

Explosion limit, upper

wt%

Animal testing, acute toxicity, Rat oral LD50

mg kg

C

143

25.1 -1

Route of entry

Intraperitoneal, Ing

Eye irritation

Causes eye irritation

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

10,000

ECOLOGICAL PROPERTIES Montreal protocol

-

N

Partition coefficient

logKow

-0.34

Manufacturer

-

BASF

Recommended for products

As a solvent for lubricants, as a crosslinking agent, separation of gas washing process and oil filed, as an intermediate in the synthesis of polycarbonate diol as well as for lithium ion batteries, adhesives, sealants, paints, coatings

USE & PERFORMANCE

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Ethylhexyl acetate, 2PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Ethylhexyl acetate, 2-

CAS #

-

103-09-3

IUPAC name

2-ethylhexyl acetate

Common name

octylacetate

Common synonym

3-(acetoxymethyl)heptane

Empirical formula

-

C10H20O2

Formula

CH3(CH2)3CHCH2CH3 CH2OCCH3 O

Molecular mass

daltons

172.27

RTECS number

-

AH5600000

Chemical category

-

ester

Mixture

-

N

EC number

-

203-079-1

Moisture content

wt%

0.1

Product contents

2-ethylhexyl acetate >99 wt%

PHYSICAL PROPERTIES State

-

L

Odor

-

characteristic

Color

-

colorless

Boiling point

o

C

199.0

Freezing point

o

C

-93.0

Refractive index at 20 C

-

1.4100

Specific gravity

-

0.870

Specific gravity temperature

o

Vapor density

air=1

4.50

Vapor pressure

kPa

0.053

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

0.03

Corrosivity

-

N

Molar volume

cm mol

Viscosity

mPas (cP)

Viscosity temperature

o

Surface tension at 20oC

mN m-1

25.80

Solubility in water at 20oC

mg kg-1

66

o

C

25

C

20

3

C

-1

198.3 1.35 25

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Ethylhexyl acetate, 2PARAMETER

UNIT

VALUE

Heat of combustion at 25oC

MJ kg-1

35.93

Coefficient of thermal expansion

10-4 oC-1 (K-1)

9.60

Hansen solubility parameters, (MPa)1/2

dD

15.8

dP

2.9

dH Henry’s law constant

5.1

atm/m -mol 3

-1

7.80E-04

HEALTH & SAFETY US safety phrases, S

S24/25

UN/NA hazard class

not regulated

DOT class

not regulated

Autoignition temperature

o

C

Flash point

o

C

Flash point method

-

OC

Explosion limit, lower

wt%

0.80

Explosion limit, upper

wt%

8.10

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

3,000

Route of entry

Ing, Skin, Eye

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

268 88

ECOLOGICAL PROPERTIES Montreal protocol

-

N

Partition coefficient

logKow

3.74

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422

Hexyl acetate, nPARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Hexyl acetate, n-

CAS #

-

142-92-7

IUPAC name

hexyl acetate

Common name

acetic acid, hexyl ester

Empirical formula

-

C8H16O2

Formula

CH3(CH2)5OCCH3 O

Molecular mass

daltons

144.22

RTECS number

-

AI0875000

Chemical category

-

ester

Mixture

-

N

EC number

-

205-572-7

Product contents

n-hexyl acetate >98%

PHYSICAL PROPERTIES State

-

L

Odor

-

aromatic

Color

-

colorless

Boiling point

o

C

Freezing point

o

C

Refractive index at 20oC

-

1.4090

Specific gravity

-

0.870

Specific gravity temperature

o

Vapor density

air=1

4.97

Vapor pressure

kPa

0.5

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

0.18

Molar volume

cm3 mol-1

166.1

Kauri butanol number

-

33.85

Corrosivity

-

Y

171.5 -80.0

C

20

C

20

Viscosity

mPas (cP)

Viscosity temperature

o

Surface tension at 20oC

mN m-1

26.00

Solubility in water at 20 C

mg kg

510

Heat of combustion at 25oC

MJ kg-1

Coefficient of thermal expansion

10

Hildebrand solubility parameter

(MPa)

o

1.075

C

25

-4 o

-1

33.85

C (K ) -1

1/2

-1

10.20 17.69

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Hexyl acetate, nPARAMETER

UNIT

VALUE

Hansen solubility parameters, (MPa)1/2

dD

15.8

dP

2.9

dH

5.9

atm/m3-mol-1

7.23E-04

Henry’s law constant

HEALTH & SAFETY UN risk phrases, R

R10

UN number

-

UN/NA hazard class

3

3272

UN packaging group

III

ICAO/IATA class, packaging group

UN 3272 ESTERS, N.O.S. (HEXYL ACETATE), 3, III

IMDG class, packaging group

UN 3272 ESTERS, N.O.S. (HEXYL ACETATE), 3, III

Proper shipping name

esters, n.o.s. (hexyl acetate)

Flash point

o

Flash point method

-

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

36,100

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

5,000

Route of entry

Con

Skin irritation

May cause skin irritation

Eye irritation

May cause eye irritation

Inhalation

May cause respiratory irritation

Target organs

Eye,Skin

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

C

56 CC -1

ECOLOGICAL PROPERTIES Theoretical oxygen demand

g g-1

2.44

Aquatic toxicity, Rainbow trout, 96-h LC50

mg l

Bioconcentration factor

-

Biodegradation probability

-

Hydroxyl rate constant

cm molecule s

7.07E-12

Montreal protocol

-

N

4.4

-1

77.3 68% 28 days 3

-1

-1

Partition coefficient

logKow

2.83

Urban ozone formation potential

C2H4=1

0.09

Soil absorption constant

-

71.0

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Hexyl acetate, nPARAMETER

UNIT

VALUE

USE & PERFORMANCE Recommended for products

Solvent for cellulose esters and other resins

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Isoamyl acetate PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Isoamyl acetate

CAS #

-

123-92-2

IUPAC name

1-butanol, 3-methyl-, acetate

Common name

3-methylbutyl acetate

Common synonym

amylacetic ester

Empirical formula

-

Formula

C7H14O2

CH3CHCH2CH2OCCH3 CH3

O

Molecular mass

daltons

130.19

RTECS number

-

NS9800000

Chemical category

-

ester

Mixture

-

N

EC number

-

204-662-3

Product contents

isoamyl acetate >97%

PHYSICAL PROPERTIES State

-

L

Odor

fruity, banana/pear-like

Odor threshold

ppm

0.025

Color

-

colorless

Boiling point

o

C

142.0

Freezing point

o

C

-79.0

Refractive index at 20 C

-

1.3980

Specific gravity

-

0.870

Specific gravity temperature

o

Vapor density

air=1

4.50

Vapor pressure

kPa

0.53

Vapor pressure temperature

o

Corrosivity

-

N

Molar volume

cm3 mol-1

150.2

Coefficients of Antoine equation

coefficient A

5.08047

o

C

C

20

20

coefficient B

1932.043

coefficient C

-28.698

Temperature range of Antoine equation

K

313.7 to 367.6

Viscosity

mPas (cP)

0.79

Viscosity temperature

o

C

25

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Isoamyl acetate PARAMETER

UNIT

VALUE

Solubility in water at 20oC

mg kg-1

2,000

Heat of combustion at 25 C

MJ kg-1

32.47

Hildebrand solubility parameter

(MPa)

Hansen solubility parameters, (MPa)1/2

dD

15.3

dP

3.1

o

Henry’s law constant

1/2

15.73

dH

7.0

atm/m3-mol-1

4.78E-04

Flammability

3

Health

1

Reactivity

0

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R10,R66

US safety phrases, S

S2,S23,S25

UN number

-

1104

UN/NA hazard class

3

UN packaging group

III

DOT class

3, III

ICAO/IATA class, packaging group

UN 1104 AMYL ACETATES, 3, III

IMDG class, packaging group

UN 1104 AMYL ACETATES, 3, III

Proper shipping name

amyl acetates

Autoignition temperature

o

C

379

Flash point

o

C

25

Flash point method

-

CC

Explosion limit, lower

wt%

1.00

Explosion limit, upper

wt%

7.50

Threshold limiting value – TWA 8h, ACGIH

mg m

532

Threshold limiting value – TWA 8h, ACGIH

ppm

100

Threshold limiting value – TWA 8h, NIOSH

mg m-3

525

Threshold limiting value – TWA 8h, NIOSH

ppm

100

Threshold limiting value – TWA 8h, OSHA

mg m-3

525

Threshold limiting value – TWA 8h, OSHA

ppm

100

Maximum exposure concentration NIOSH-IDLH

ppm

1000

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

16,600

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

-3

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Isoamyl acetate PARAMETER

UNIT

VALUE

Montreal protocol

-

N

Partition coefficient

logKow

2.26

ECOLOGICAL PROPERTIES

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Isobutyl acetate PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Isobutyl acetate

CAS #

-

110-19-0

IUPAC name

2-methylpropyl acetate

Common name

2-methyl propyl acetate

Common synonym

2-methyl-1-propyl acetate

Empirical formula

-

C6H12O2

Formula

CH3CHCH2OCCH3 CH3

O

Molecular mass

daltons

116.16

RTECS number

-

AI4025000

Chemical category

-

ester

Mixture

-

N

EC number

-

203-745-1

Product contents

2-methylpropyl acetate >99.0 wt%

PHYSICAL PROPERTIES State

-

L

Odor

-

fruit-like

Odor threshold

ppm

0.640

Color

-

colorless

Boiling point

o

C

117.0

Freezing point

o

C

-99.0

Refractive index at 20 C

-

1.3910

Specific gravity

-

0.870

Specific gravity temperature

o

Vapor density

air=1

4.00

Vapor pressure

kPa

1.67

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

1.40

Evaporation rate

ether=1

8.6

Molar volume

cm mol

Coefficients of Antoine equation

coefficient A

4.53676

coefficient B

1625.875

o

C

15

C

20

3

-1

133.8

coefficient C

-32.494

Temperature range of Antoine equation

K

251.9 to 391.0

pH

-

7.0

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Isobutyl acetate PARAMETER

UNIT

Viscosity

mPas (cP)

Viscosity temperature

o

Surface tension at 20oC

mN m-1

23.70

Solubility in water at 20oC

mg kg-1

11500

Heat of combustion at 25 C

MJ kg

Coefficient of thermal expansion

10

Hansen solubility parameters, (MPa)1/2

dD

15.1

dP

3.7

o

VALUE 0.709

C

20

-4 o

30.76

-1

C (K ) -1

-1

11.50

dH

6.3

Henry’s law constant

atm/m3-mol-1

4.30E-04

Relative permittivity

-

5.60

Flammability

3

Health

1

HEALTH & SAFETY NFPA classification

HMIS classification

Reactivity

0

Flammability

3

Health

1

Reactivity

0

UN risk phrases, R

R11,R66

US safety phrases, S

S2,S16,S23,S25,S29,S33

UN number

-

UN/NA hazard class

3

1213

UN packaging group

II

DOT class

UN 1231 Isobutyl acetate, 3, II

ICAO/IATA class, packaging group

UN 1213 ISOBUTYL ACETATE, 3, II

IMDG class, packaging group

UN 1213 ISOBUTYL ACETATE, 3, II

Proper shipping name

isobutyl acetate

Autoignition temperature

o

C

Flash point

o

C

Flash point method

-

CC

Explosion limit, lower

wt%

1.30

Explosion limit, upper

wt%

7.50

Threshold limiting value – TWA 8h, ACGIH

mg m-3

713

Threshold limiting value – TWA 8h, ACGIH

ppm

150

Threshold limiting value – TWA 8h, NIOSH

mg m-3

700

Threshold limiting value – TWA 8h, NIOSH

ppm

150

Threshold limiting value – TWA 8h, OSHA

mg m

427 20

-3

700

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Isobutyl acetate PARAMETER

UNIT

VALUE

Threshold limiting value – TWA 8h, OSHA

ppm

150

Maximum exposure concentration NIOSH-IDLH

ppm

1,300

Maximum concentration, any time, ACGIH

ppm

150

Maximum concentration, any time, OSHA

mg m-3

700

Maximum concentration, any time, OSHA

ppm

150

Animal testing, acute toxicity, Rat oral LD50

mg kg

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

-1

3,200-6,400 8,000/4H

Route of entry

Inh, Skin, Eye

Skin irritation

Irritating to the skin. Prolong contact may cause drying, cracking of skin

Eye irritation

High vapor concentration may cause irritation of eyes

Inhalation

May cause respiratory irritation. High vapor concentration may cause drowsiness

First aid: eyes

Immediately flush eye(s) with plenty of water. Remove contact lenses. Protect unharmed eye. Keep eye wide open while rinsing. Contact ophthalmologist

First aid: skin

Promptly flush skin with water until all chemical is removed. Remove clothing contaminated with liquid and wash before reuse.

First aid: inhalation

Remove victim to fresh air and keep at rest in a position comfortable for breathing. Get medical aid

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

0.97

Biological oxygen demand, 20 days

gg

-1

1.30

Aquatic toxicity, Daphnia magna, 48-h LC50

mg l

-1

28.2

Aquatic toxicity Fathead minnow, 96-h LC50

mg l-1

22.4

Biodegradation probability

-

81% 20 days

Montreal protocol

-

N

Partition coefficient

logKow

2.30

USE & PERFORMANCE

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Isobutyl acetate PARAMETER

UNIT

VALUE

Recommended for products

coatings, process solvent in pharmaceuticals

Features & benefits

good solvent activity, readily biodegradable

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Isobutyl isobutyrate PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Isobutyl isobutyrate

CAS #

-

97-85-8

IUPAC name

2-methylpropyl 2-methylpropanoate

Common name

isobutyric acid, isobutyl ester

Acronym

-

IBIB

Empirical formula

-

C8H16O2

Formula

O O Molecular mass

daltons

142.22

RTECS number

-

NQ5250000

Chemical category

-

ester

Mixture

-

N

EC number

-

202-612-5

Product contents

isobutyl isobutyrate >98%

PHYSICAL PROPERTIES State

-

L

Odor

-

fruity

Color

-

colorless

Boiling point

o

C

147

Freezing point

o

C

-80

Refractive index at 20 C o

-

1.40

Specific gravity

-

Specific gravity temperature

o

Vapor pressure

kPa

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

0.43

Corrosivity

-

N

Molar volume

cm3 mol-1

169.8

Coefficients of Antoine equation

coefficient A

4.76033

Temperature range of Antoine equation

C C

0.855 20 0.576 25

coefficient B

1806.356

coefficient C

-40.698

K

277.2 to 420.6

Viscosity

mPas (cP)

Viscosity temperature

o

C

0.841 25

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Isobutyl isobutyrate PARAMETER

UNIT

VALUE

Solubility in water at 20oC

mg kg-1

1,000

Heat of combustion at 25 C

MJ kg-1

Coefficient of thermal expansion

10

Hansen solubility parameters, (MPa)1/2

dD

15.1

dP

2.8

dH

5.8

atm/m3-mol-1

1.44E-03

o

Henry’s law constant

-4 o

33.85

C (K ) -1

10.3

-1

HEALTH & SAFETY UN risk phrases, R

R10

US safety phrases, S

S16

UN number

-

2528

UN/NA hazard class

3

UN packaging group

III

DOT class

3.III

ICAO/IATA class, packaging group

UN 2528 ISOBUTYL ISOBUTYRATE, 3, III

IMDG class, packaging group

UN 2528 ISOBUTYL ISOBUTYRATE, 3, III

Proper shipping name

isobutyl isobutyrate

Autoignition temperature

o

C

Flash point

o

C

38

Explosion limit, lower

wt%

1.2

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

12,800

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

8,600

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

Skin irritation

Causes skin irritation

Eye irritation

Causes eye irritation

First aid: eyes

Rinse eyes immediately with large amounts of water for at least 15 minutes, occasionally lifting the eyelids. Get medical attention.

First aid: skin

Promptly flush skin with water until all chemical is removed. Remove clothing contaminated with liquid and wash before reuse

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

432

-1

5,000/6H

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434

Isobutyl isobutyrate PARAMETER

UNIT

VALUE

Montreal protocol

-

N

Partition coefficient

logKow

2.68

Manufacturer

-

Eastman

Outstanding properties

blush resistance, electrical resistance, low surface tension

Recommended for products

Coatings for plastics, industrial wood, thinner and purge solvents

ECOLOGICAL PROPERTIES

USE & PERFORMANCE

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

435

Lactic acid, butyl ester PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Lactic acid, butyl ester

CAS #

-

138-22-7

IUPAC name

butyl 2-hydroxypropanoate

Common name

n-butyl lactate

Common synonym

butyl-2-hydroxypropionate

Empirical formula

-

C7H14O3

Formula

CH3CHCO(CH2)3CH3 OHO

Molecular mass

daltons

146.19

RTECS number

-

OD4025000

Chemical category

-

ester

Mixture

-

N

EC number

-

205-316-4

Product contents

n-butyl lactate, 99%

PHYSICAL PROPERTIES State

-

L

Odor

-

characteristic

Color

-

colorless

Boiling point

o

C

Freezing point

o

C

Refractive index at 20oC

-

187.8 -43.0 1.4200

Specific gravity

-

Specific gravity temperature

o

0.980

Vapor density

air=1

5.04

Vapor pressure

kPa

0.05

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

0.04

Corrosivity

-

N

Molar volume

cm3 mol-1

149.0

Kauri butanol number

-

1000

C

20

C

20

Surface tension at 20 C

mN m

Solubility in water at 20oC

mg kg-1

Heat of combustion at 25 C

MJ kg

Hansen solubility parameters, (MPa)1/2

dD

15.8

dP

6.5

dH

10.2

o

o

-1

-1

35.00 traces 27.69

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436

Lactic acid, butyl ester PARAMETER

UNIT

VALUE

Henry’s law constant

atm/m3-mol-1

8.50E-05

Flammability

2

Health

1

Reactivity

0

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R36/37/38

US safety phrases, S

S26,S37/38

UN/NA hazard class

not regulated

DOT class

not regulated

Autoignition temperature

o

C

382

Flash point

o

C

71.0

Flash point method

-

OC

Explosion limit, lower

wt%

1.00

Explosion limit, upper

wt%

7.90

Threshold limiting value – TWA 8h, ACGIH

mg m

30

Threshold limiting value – TWA 8h, ACGIH

ppm

5

Threshold limiting value – TWA 8h, NIOSH

mg m-3

25

Threshold limiting value – TWA 8h, NIOSH

ppm

5

Threshold limiting value – TWA 8h, OSHA

mg m-3

25

Threshold limiting value – TWA 8h, OSHA

ppm

5

-3

Maximum concentration, any time, NIOSH

mg m

25

Maximum concentration, any time, NIOSH

ppm

5

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

2,000

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

500

-3

Route of entry

Inh, Con

Skin irritation

Causes skin irritation

Eye irritation

Causes serious eye irritation

Inhalation

May cause respiratory irritation

First aid: eyes

Rinse immediately with plenty of water and seek medical advice

First aid: skin

Flush skin with water until all chemical is removed. Remove clothing contaminated with liquid and wash before reuse. Seek medical advice

First aid: inhalation

Remove victim to fresh air. If breathing stops provide artificial respiration. If breathing is difficult, give oxygen. Call medical attention

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

437

Lactic acid, butyl ester PARAMETER

UNIT

VALUE

Target organs

CNS,Eye,RspSys, Skin

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Chemical oxygen demand

g g-1

Theoretical oxygen demand

gg

Bioconcentration factor

-

0.81

Biodegradation probability

-

days

Hydroxyl rate constant

cm3 molecule-1 s-1

4.50E-12

Montreal protocol

-

N

-1

1.97 1.97

Partition coefficient

logKow

0.80

Urban ozone formation potential

C2H4=1

0.13

Soil absorption constant

-

0.28

USE & PERFORMANCE Recommended for products

Inks, adhesives, photoresist, coatings, printing, dry cleaning, mold release

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

438

Lactic acid, methyl ester PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Lactic acid, methyl ester

CAS #

-

547-64-8

IUPAC name

methyl 2-hydroxypropanoate

Common name

methyl lactate

Empirical formula

-

C4H8O3

Formula

O CH3CHCOCH3 OH

Molecular mass

daltons

104.11

RTECS number

-

OD5670000

Chemical category

-

ester

Mixture

-

N

EC number

-

208-930-0

Product contents

methyl lactate, 99%

PHYSICAL PROPERTIES State

-

L

Odor

-

mild pleasant

Color

-

colorless

Boiling point

o

Refractive index at 20 C

C

145.0

-

o

1.4140

Specific gravity

-

Specific gravity temperature

o

1.090

Vapor density

air=1

3.59

Vapor pressure

kPa

0.3

Vapor pressure temperature

o

C

20

Evaporation rate

butyl acetate=1

0.26

Corrosivity

-

N

Molar volume

cm mol

Kauri butanol number

-

62

Viscosity

mPas (cP)

2.9

Viscosity temperature

o

C

20

3

C

-1

97.4

20

Surface tension at 20 C

mN m

Solubility in water at 20oC

mg kg-1

decomposition

Heat of combustion at 25 C

MJ kg

20.04

o

o

-1

-1

39.00

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439

Lactic acid, methyl ester PARAMETER

UNIT

VALUE

Hansen solubility parameters, (MPa)1/2

dD

16.1

dP

8.3

Henry’s law constant

dH

17.4

atm/m3-mol-1

3.63E-05

Flammability

2

Health

1

Reactivity

0

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R10,R36/37

US safety phrases, S

S2,S36/37,S24

UN number

-

3272

UN/NA hazard class

3

UN packaging group

III

DOT class

3, III

Proper shipping name

flammable liquid, n.o.s.

Autoignition temperature

o

C

385

Flash point

o

C

55

Flash point method

-

CC

Explosion limit, lower

wt%

1.10

Explosion limit, upper

wt%

3.60 2,000

Animal testing, acute toxicity, Rat oral LD50

mg kg

Route of entry

Inh, Con, Ing

Skin irritation

Causes skin irritation

Eye irritation

Causes serious eye irritation

Inhalation

Causes respiratory irritation

First aid: eyes

Rinse immediately with plenty of water and seek medical advice

First aid: skin

Flush skin with water until all chemical is removed. Remove clothing contaminated with liquid and wash before reuse. Seek medical advice

First aid: inhalation

Remove victim to fresh air. If breathing stops provide artificial respiration. If breathing is difficult, give oxygen. Call medical attention

Target organs

RspSys,Skin,Eye,GI

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

-1

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440

Lactic acid, methyl ester PARAMETER

UNIT

VALUE

Chemical oxygen demand

g g-1

1.38

Theoretical oxygen demand

gg

1.38

ECOLOGICAL PROPERTIES -1

Bioconcentration factor

-

-0.40

Biodegradation probability

-

days

Hydroxyl rate constant

cm3 molecule-1 s-1

4.38E-13

Montreal protocol

-

N

Partition coefficient

logKow

-0.67

Urban ozone formation potential

C2H4=1

0.01

Soil absorption constant

-

-0.50

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441

Methoxybutyl acetate, 3PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Methoxybutyl acetate, 3-

CAS #

-

4435-53-4

IUPAC name

3-methoxybutyl acetate

Common name

butoxyl

Common synonym

acetic acid, 3-methoxybutyl ester

Empirical formula

-

C7H14O3

Formula

O

H

O

CH3

O

Molecular mass

daltons

146.186

EC number

-

224-644-9

Product contents

>99 wt%

PHYSICAL PROPERTIES State

-

L

Odor

-

acrid

Boiling point

o

C

170

Freezing point

o

C

-80

Refractive index at 20 C o

-

1.407-1.41

Specific gravity

-

0.96

Vapor density

air=1

5.05

Vapor pressure

mbar

0.34

Vapor pressure temperature

o

Evaporation rate

diethyl ether=1

C

20 75

Viscosity

mPas (cP)

Viscosity temperature

o

Solubility in water at 20oC

g kg-1

30

Heat of vaporization at 1013 hPa

Jg

318.4

Specific heat at 20oC

kJ K-1 mol-1

1.93

Relative permittivity

-

8.0

Flammability

2

Health

1

C

0.71 20

-1

HEALTH & SAFETY NFPA classification

Reactivity

1

UN number

-

1993, 2708

Autoignition temperature

o

C

410

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442

Methoxybutyl acetate, 3PARAMETER

UNIT

Flash point

o

Flash point method

-

USCG

Explosion limit, lower

wt%

0.8-2.3

Explosion limit, upper

wt%

4.7-15

First aid: eyes

Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. If eye irritation persists: Get medical advice/attention.

First aid: skin

Take off immediately all contaminated clothing. Rinse skin with water/shower. If skin irritation or rash occurs: Get medical advice/attention.

First aid: inhalation

Remove victim to fresh air and keep at rest in a position comfortable for breathing. Call a POISON CENTER or doctor/ physician if you feel unwell.

C

VALUE 62-77

USE & PERFORMANCE Manufacturer

-

Outstanding properties

smooth surface, prevention of blushing

Celanese, Junsei

Recommended for polymers

epoxy, PU

Recommended for products

brush-applied paints, rubber rollers, coatings, lacquers, photosensitive materials, nail lacquer remover, cleaning composition

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

443

Methyl acetate PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Methyl acetate

CAS #

-

79-20-9

IUPAC name

methyl acetate

Common name

acetic acid methyl ester

Empirical formula

-

C3H6O2

Formula

CH3COCH3 O

Molecular mass

daltons

74.09

RTECS number

-

AI9100000

Chemical category

-

ester

Mixture

-

N

EC number

-

201-185-2

Product contents

methylacetate, 99.5%

PHYSICAL PROPERTIES State

-

L

Odor

-

fragrant, fruit

Odor threshold

ppm

4.60

Color

-

colorless

Boiling point

o

C

Freezing point

o

C

Refractive index at 20oC

-

1.3590

Specific gravity

-

0.928

Specific gravity temperature

o

Vapor density

air=1

2.80

Vapor pressure

kPa

22.8

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

Enthalpy of vaporization

kJ mol-1

32.30

Enthalpy of vaporization temperature

K

298.2

Acceptor number

-

57.0 -98.1

C

25

C

20 11.8

10.7

Donor number

kcal mol

-1

16.3

Polarity parameter, ET(30)

kcal mol-1

38.9

Corrosivity

-

N

Molar volume

cm mol 3

-1

79.8

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444

Methyl acetate PARAMETER

UNIT

VALUE

Coefficients of Antoine equation

coefficient A

4.20364

coefficient B

1164.426

coefficient C

-52.69

Temperature range of Antoine equation

K

274.9 to 329.0

Viscosity

mPas (cP)

0.364

Viscosity temperature

o

Surface tension at 20oC

mN m-1

24.10

Solubility in water at 20 C

mg kg

-1

244,000

Heat of combustion at 25 C

MJ kg

-1

21.74

Specific heat at 25oC

kJ K-1 mol-1

143.89

Coefficient of thermal expansion

10

14.00

Hildebrand solubility parameter

(MPa)

Hansen solubility parameters, (MPa)1/2

dD

15.5

dP

7.2

o

o

C

25

-4 o

C (K ) -1

-1

1/2

19.64

dH

7.6

Henry’s law constant

atm/m3-mol-1

1.15E-04

Relative permittivity

-

6.68

Flammability

3

Health

2

HEALTH & SAFETY NFPA classification

HMIS classification

UN risk phrases, R

Reactivity

0

Flammability

3

Health

2

Reactivity

0

R11,R36,R66,R67

US safety phrases, S

S16,S26,S29,S33

UN number

-

UN/NA hazard class

3

UN packaging group

II

DOT class

3, II

TDG class

UN 1231 METHYL ACETATE, 3, II

ICAO/IATA class, packaging group

UN 1231 METHYL ACETATE, 3, II

IMDG class, packaging group

UN 1231 METHYL ACETATE, 3, II

Proper shipping name

methyl acetate

Autoignition temperature

o

C

454

Flash point

o

C

-13.0

Flash point method

-

1231

CC

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445

Methyl acetate PARAMETER

UNIT

VALUE

Explosion limit, lower

wt%

3.10

Explosion limit, upper

wt%

16.00

Threshold limiting value – TWA 8h, ACGIH

mg m

606

Threshold limiting value – TWA 8h, ACGIH

ppm

200

Threshold limiting value – TWA 8h, NIOSH

mg m-3

610

Threshold limiting value – TWA 8h, NIOSH

ppm

200

Threshold limiting value – TWA 8h, OSHA

mg m-3

610

Threshold limiting value – TWA 8h, OSHA

ppm

200

-3

30,800

Maximum exposure concentration NIOSH-IDLH

mg m

Maximum exposure concentration NIOSH-IDLH

ppm

3,100

Maximum concentration, any time, ACGIH

ppm

200

Maximum concentration, any time, OSHA

ppm

200

Maximum concentration, 15 min., ACGIH

mg m-3

757

Maximum concentration, 15 min., ACGIH

ppm

250

Maximum concentration, 15 min., NIOSH

mg m

Maximum concentration, 15 min., NIOSH

ppm

Maximum concentration, 15 min., OSHA

mg m-3

760

Maximum concentration, 15 min., OSHA

ppm

250

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

3,705

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

2,000

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

Route of entry

Inh, Ing, Con

Ingestion

Abdominal pain. Nausea. Vomiting. Weakness.

Skin irritation

Dry skin. Redness.

Eye irritation

Redness. Pain. Blurred vision.

Inhalation

May cause irritation of the respiratory track. Confusion. Cough. Drowsiness. Dullness. Headache. Nausea.

First aid: eyes

Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid

First aid: skin

Wash off immediately with soap and plenty of water removing all contaminated clothes and shoes . If symptoms persist call a physician

-3

-3

760 250

-1

32,000/4H

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446

Methyl acetate PARAMETER

UNIT

VALUE

First aid: inhalation

Keep at rest. Move to fresh air. Call a physician immediately

Target organs

RspSys,Skin,Eye

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

Mutagenic properties

Y

ECOLOGICAL PROPERTIES Theoretical oxygen demand

g g-1

1.51

Bioconcentration factor

-

-0.20

Biodegradation probability

-

days-weeks

Hydroxyl rate constant

cm3 molecule-1 s-1

3.40E-13

Montreal protocol

-

N

Partition coefficient

logKow

0.18

Urban ozone formation potential

C2H4=1

0.01

Soil absorption constant

-

0.68

UV absorption

nm

<255

USE & PERFORMANCE Recommended for products

Printing inks, resin solutions, cosmetics, personal care

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

447

Methyl acetoacetate PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Methyl acetoacetate

CAS #

-

105-45-3

IUPAC name

methyl 3-oxobutanoate

Common name

acetoacetic acid methyl ester

Common synonym

methyl 3-oxobutyrate

Acronym

-

MAA

Empirical formula

-

C5H8O3

Formula

CH3CCH2COCH3 O

O

Molecular mass

daltons

116.1

RTECS number

-

AK5775000

Chemical category

-

ester

Mixture

-

N

EC number

-

203-299-8

Product contents

methyl acetoacetate, min 99%

PHYSICAL PROPERTIES State

-

L

Color

-

colorless

Boiling point

o

C

164.0

Freezing point

o

C

-30.0

Refractive index at 20 C

-

1.4180

Specific gravity

-

1.080

Specific gravity temperature

o

Vapor density

air=1

4.00

Vapor pressure

kPa

0.0187

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

0.12

Corrosivity

-

N

o

C

20

C

20

Molar volume

cm mol

pH

-

7.0

Viscosity

mPas (cP)

1.74

Viscosity temperature

o

Solubility in water at 20oC

mg kg-1

Heat of combustion at 25 C

MJ kg

Coefficient of thermal expansion

10

3

o

108.3

-1

C

20

-4 o

miscible 22.56

-1

C (K ) -1

-1

7.14

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448

Methyl acetoacetate PARAMETER

UNIT

VALUE

Hansen solubility parameters, (MPa)1/2

dD

16.4

dP

8.6

dH

8.9

Flammability

2

Health

2

HEALTH & SAFETY NFPA classification

HMIS classification

UN risk phrases, R

Reactivity

0

Flammability

2

Health

2

Reactivity

0

R36

US safety phrases, S

S26

UN/NA hazard class

not regulated

UN packaging group

III

DOT class

not regulated

Proper shipping name

combustible liquid, n.o.s. (methyl acetoacetate)

Autoignition temperature

o

C

280

Flash point

o

C

63.5

Flash point method

-

PMCC

Explosion limit, lower

wt%

1.80

Explosion limit, upper

wt%

Animal testing, acute toxicity, Rat oral LD50

mg kg

Route of entry

Ing, Eye

Ingestion

May cause blindness if swallowed

Eye irritation

Causes serious eye damage. Redness. Pain

Inhalation

Cough. Dizziness. Drowsiness. Headache.

First aid: eyes

Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

8.80 -1

2,580 (male); 3,370 (female)

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

449

Methyl acetoacetate PARAMETER

UNIT

VALUE

Biological oxygen demand, 5 days

g g-1

0.31

Biological oxygen demand, 20 days

gg

-1

0.77

Chemical oxygen demand

gg

-1

1.45

Aquatic toxicity Fathead minnow, 96-h LC50

mg l-1

111.4

Biodegradation probability

-

94% 28 days

Montreal protocol

-

N

Partition coefficient

logKow

-0.40

ECOLOGICAL PROPERTIES

USE & PERFORMANCE Recommended for products

Intermediate for the manufacturing of organic pigments, dyestuffs, agriculture chemicals, pharmaceutical products

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

450

Methyl benzoate PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Methyl benzoate

CAS #

-

93-58-3

IUPAC name

methyl benzoate

Common name

niobe oil

Common synonym

benzoic acid methyl ester

Empirical formula

-

C8H8O2

Formula

O O

Molecular mass

daltons

136.15

RTECS number

-

DH3850000

Chemical category

-

ester

Mixture

-

N

EC number

-

202-259-7

State

-

L

Odor

-

characteristic

Color

-

colorless

Boiling point

o

C

Freezing point

o

C

Refractive index at 20oC

-

1.517

Specific gravity

-

1.094

Specific gravity temperature

o

Vapor density

air=1

4.7

Vapor pressure

kPa

0.033

Vapor pressure temperature

o

Polarity parameter, ET(30)

kcal mol-1

38.1

Corrosivity

-

N

Molar volume

cm mol

Coefficients of Antoine equation

coefficient A

PHYSICAL PROPERTIES

Temperature range of Antoine equation

198.0 -12.00

C

25

C

20

3

-1

125.5 1.95374

coefficient B

474.908

coefficient C

-232.81

K

384.0 to 472.2

Viscosity

mPas (cP)

Viscosity temperature

o

Solubility in water at 20oC

mg kg-1

C

1.88 25 1,000

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

451

Methyl benzoate PARAMETER

UNIT

VALUE

Heat of combustion at 25oC

MJ kg-1

31.53

Coefficient of thermal expansion

10-4 oC-1 (K-1)

8.44

Hildebrand solubility parameter

(MPa)1/2

21.10

Hansen solubility parameters, (MPa)1/2

dD

18.9

dP

8.2

dH

4.7

Henry’s law constant

atm/m3-mol-1

3.48E-05

Relative permittivity

-

6.6

Flammability

2

Health

0

HEALTH & SAFETY NFPA classification

HMIS classification

Reactivity

0

Flammability

2

Health

2

Reactivity

0

UN risk phrases, R

R22

US safety phrases, S

S2,S23,S24/25

UN number

-

UN/NA hazard class

6.1

2938

DOT class

UN 2938, Methyl benzoate, 6.1

ICAO/IATA class, packaging group

not regulated

IMDG class, packaging group

not regulated

Proper shipping name

methyl benzoate

Autoignition temperature

o

C

505

Flash point

o

C

83

Flash point method

-

CC

Explosion limit, lower

wt%

1.2

Explosion limit, upper

wt%

6.7

Animal testing, acute toxicity, Rat oral LD50

-1

mg kg

2,100

Animal testing, acute toxicity, Mouse oral LD50

mg kg-1

3,330

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

10,000

Route of entry

Ing, Inh, Eye, Skin

Ingestion

Harmful if swallowed

Skin irritation

Causes skin irritation.

Eye irritation

Causes eye irritation.

Inhalation

May cause respiratory tract irritation.

-1

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452

Methyl benzoate PARAMETER

UNIT

VALUE

First aid: eyes

Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid

First aid: skin

Wash off immediately with soap and plenty of water removing all contaminated clothes and shoes . If symptoms persist call a physician

First aid: inhalation

Keep at rest. Move to fresh air. Call a physician immediately

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Montreal protocol

-

N

Partition coefficient

logKow

2.12

USE & PERFORMANCE Recommended for polymers

cellulose esters, resins, rubbers, polyester

Recommended for products

dye carrier for dyeing polyester fibers, additive for disinfectants and pesticide manufacture

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453

Methyl formate PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Methyl formate

CAS #

-

107-31-3

IUPAC name

methyl formate

Common name

methyl ester of formic acid

Empirical formula

-

C2H4O2

Formula

H O

O

Molecular mass

daltons

60.05

RTECS number

-

LQ8925000

Chemical category

-

ester

Mixture

-

N

EC number

-

203-481-7

Product contents

methyl formate 97%, methanol 3%

PHYSICAL PROPERTIES State

-

L

Odor

-

ether-like

Color

-

colorless

Boiling point

o

C

Freezing point

o

C

Refractive index at 20oC

-

1.342

Specific gravity

-

0.97

Specific gravity temperature

o

Vapor density

air=1

2.07

Vapor pressure

kPa

64

Vapor pressure temperature

o

C

20

Enthalpy of vaporization

kJ mol-1

Enthalpy of vaporization temperature

K

Polarity parameter, ET(30)

kcal mol

Corrosivity

-

N

Molar volume

cm3 mol-1

62.1

Coefficients of Antoine equation

coefficient A

0.25097

coefficient B

6.524

32 -100

C

20

27.92 304.7 -1

41.9

coefficient C

-278.54

Temperature range of Antoine equation

K

294.0 to 304.8

pH

-

7.0

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454

Methyl formate PARAMETER

UNIT

VALUE

Viscosity

mPas (cP)

Viscosity temperature

o

Surface tension at 20oC

mN m-1

Solubility in water at 20oC

mg kg-1

Coefficient of thermal expansion

10

Hildebrand solubility parameter

(MPa)

Hansen solubility parameters, (MPa)1/2

dD

15.3

dP

8.4

0.35

C

20

-4 o

25.0 30,000

C (K ) -1

-1

1/2

15.2 20.52

dH

10.2

Henry’s law constant

atm/m3-mol-1

2.23E-04

Relative permittivity

-

8.50

Flammability

4

Health

2

HEALTH & SAFETY NFPA classification

HMIS classification

Reactivity

0

Flammability

4

Health

2

Reactivity

0

UN risk phrases, R

R12,R20/22,R36/37

US safety phrases, S

S9,S16,S24,S26,S33

UN number

-

UN/NA hazard class

3

1243

UN packaging group

I

DOT class

UN 1243 METHYL FORMATE, 3, I

ICAO/IATA class, packaging group

UN 1243 METHYL FORMATE, 3, I

IMDG class, packaging group

UN 1243 METHYL FORMATE, 3, I

Autoignition temperature

o

C

449

Flash point

o

C

28

Explosion limit, lower

wt%

5.0

Explosion limit, upper

wt%

Threshold limiting value – TWA 8h, ACGIH

mg m

246

Threshold limiting value – TWA 8h, ACGIH

ppm

100

Threshold limiting value – TWA 8h, NIOSH

mg m-3

250

Threshold limiting value – TWA 8h, NIOSH

ppm

100

Threshold limiting value – TWA 8h, OSHA

mg m-3

250

Threshold limiting value – TWA 8h, OSHA

ppm

100

Maximum exposure concentration NIOSH-IDLH

ppm

4,500

23.0 -3

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Methyl formate PARAMETER

UNIT

VALUE

Maximum concentration, any time, ACGIH

ppm

100

Maximum concentration, any time, OSHA

mg m-3

250

Maximum concentration, any time, OSHA

ppm

100

Maximum concentration, 15 min., ACGIH

mg m-3

150

Maximum concentration, 15 min., NIOSH

mg m

375

Maximum concentration, 15 min., NIOSH

ppm

Maximum concentration, 15 min., OSHA

ppm

Animal testing, acute toxicity, Rat oral LD50

mg kg

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

Route of entry

Ing, Inh, Eye, Skin

Ingestion

Harmful if swallowed

Skin irritation

May cause skin irritation. Virtually nontoxic after single skin contact

Eye irritation

Causes serious eye irritation.

Inhalation

Causes temporary irritation of respiratory tract. Cough. Dizziness. Dullness. Headache. Labored breathing.

Target organs

Kdny

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Aquatic toxicity, Daphnia magna, 24-h LC50

mg l-1

>500

Montreal protocol

-

N

Partition coefficient

logKow

-0.17

-3

150 150 -1

1,500 >5.2 mg/L/4 hr

USE & PERFORMANCE Recommended for products

Solvent and binder in the foundry industry. Blowing agent for different types of polymers. Propellant

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Methyl propionate PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Methyl propionate

CAS #

-

554-12-1

IUPAC name

methyl propanoate

Common name

propionic acid methyl ester

Empirical formula

-

C4H8O2

Formula

CH3CH2COCH3 O

Molecular mass

daltons

88.12

RTECS number

-

UF5970000

Chemical category

-

ester

Mixture

-

N

EC number

-

209-060-4

-

L

PHYSICAL PROPERTIES State Odor

fruity, reminiscent of rum

Color

-

Boiling point

o

C

Freezing point

o

C

Refractive index at 20oC

-

1.3770

Specific gravity

-

0.910

Specific gravity temperature

o

Vapor density

air=1

3.00

Vapor pressure

kPa

9

Vapor pressure temperature

o

C

20

Enthalpy of vaporization

kJ mol-1

32.24

Enthalpy of vaporization temperature

K

352.9

Donor number

kcal mol-1

11.0

Polarity parameter, ET(30)

kcal mol

38.0

colorless 80.0 -87.0

C

20

-1

Corrosivity

-

N

Molar volume

cm3 mol-1

97.0

Coefficients of Antoine equation

coefficient A

4.03986

coefficient B

1155.987

coefficient C

-65.979

Temperature range of Antoine equation

K

293.7 to 351.9

Viscosity

mPas (cP)

0.43

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Methyl propionate PARAMETER

UNIT

Viscosity temperature

o

VALUE

C

25

Solubility in water at 20 C

mg kg-1

o

62,370

Heat of combustion at 25 C

MJ kg

-1

25.70

Coefficient of thermal expansion

10-4 oC-1 (K-1)

12.80

Hildebrand solubility parameter

(MPa)1/2

18.27

dD

15.5

dP

6.5

o

Hansen solubility parameters, (MPa)

1/2

dH

7.7

Henry’s law constant

atm/m -mol

Relative permittivity

-

5.50

Flammability

3

Health

1

Reactivity

0

3

-1

1.74E-04

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R11,R20

US safety phrases, S

S16,S24,S29,S33

UN number

-

1248

UN/NA hazard class

3

UN packaging group

II

DOT class

UN 1248 methyl propionate, 3, II

ICAO/IATA class, packaging group

UN 1248 METHYL PROPIONATE, 3, II

IMDG class, packaging group

UN 1248 METHYL PROPIONATE, 3, II

Proper shipping name

methyl propionate

Autoignition temperature

o

C

469

Flash point

o

C

-2.0

Flash point method

-

CC

Explosion limit, lower

wt%

2.50

Explosion limit, upper

wt%

13.00

Animal testing, acute toxicity, Rat oral LD50

-1

mg kg

5,000

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

5,000

Route of entry

Inh, Ing

Ingestion

Ingestion may cause abdominal pain & vomiting.

Skin irritation

May cause skin irritation.

Eye irritation

May cause eye irritation.

Inhalation

Harmful if inhaled. May cause respiratory tract irritation

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Methyl propionate PARAMETER

UNIT

VALUE

First aid: eyes

Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid

First aid: skin

Wash off immediately with soap and plenty of water removing all contaminated clothes and shoes . If symptoms persist call a physician

First aid: inhalation

Move person to fresh air. Give artificial respiration if not breathing. Call a physician immediately

Target organs

CNS,RspSys

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

Mutagenic properties

N

Reproduction/developmental toxicity

Y

ECOLOGICAL PROPERTIES Theoretical oxygen demand

g g-1

1.09

Aquatic toxicity, Daphnia magna, 48-h LC50

mg l

Bioconcentration factor

-

Biodegradation probability

-

Hydroxyl rate constant

cm molecule s

1.00E-12

Montreal protocol

-

N

Partition coefficient

logKow

0.82

Urban ozone formation potential

C2H4=1

0.02

Soil absorption constant

-

0.81

500/24H

-1

0.28 days-weeks 3

-1

-1

USE & PERFORMANCE Recommended for polymers

Cellulose nitrate, solvent mixture for cellulose derivative

Recommended for products

Solvent for cellulose nitrate, solvent mixture for cellulose derivativelacquers, paints, varnishes, coating compositions, flavoring.

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Propyl acetate, nPARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Propyl acetate, n-

CAS #

-

109-60-4

IUPAC name

propyl acetate

Common name

1-acetoxypropane

Common synonym

acetic acid n-propyl ester

Empirical formula

-

C5H10O2

Formula

O O

Molecular mass

daltons

102.13

RTECS number

-

AJ3675000

Chemical category

-

ester

Mixture

-

N

EC number

-

203-686-1

Product contents

propyl acetate 100%

PHYSICAL PROPERTIES State

-

L

Odor

-

acetone-like

Odor threshold

ppm

0.67

Color

-

colorless

Boiling point

o

C

101.6

Freezing point

o

C

-93

Refractive index at 20 C

-

1.383

Specific gravity

-

0.888

Specific gravity temperature

o

Vapor density

air=1

3.5

Vapor pressure

kPa

4.79

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

2.75

Enthalpy of vaporization

kJ mol-1

33.92

Enthalpy of vaporization temperature

K

374.7

Donor number

kcal mol-1

16.0

Polarity parameter, ET(30)

kcal mol

37.5

o

C

20

C

25

-1

Corrosivity

-

N

Molar volume

cm3 mol-1

115.8

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Propyl acetate, nPARAMETER

UNIT

VALUE

Coefficients of Antoine equation

coefficient A

4.14386

coefficient B

1283.861

coefficient C

-64.378

Temperature range of Antoine equation

K

312.2 to 374.0

Viscosity

mPas (cP)

0.6

Viscosity temperature

o

Surface tension at 20oC

mN m-1

24.4

Solubility in water at 20 C

mg kg

33,000

Heat of combustion at 25 C

MJ kg

Coefficient of thermal expansion

10-4 oC-1 (K-1)

12.1

Hildebrand solubility parameter

(MPa)1/2

18.0

dD

15.3

dP

4.3

o

o

Hansen solubility parameters, (MPa)

1/2

C

20 -1

28.58

-1

dH

7.6

Henry’s law constant

atm/m -mol

Relative permittivity

-

6.0

Flammability

3

Health

1

Reactivity

0

Flammability

3

Health

1

Reactivity

0

3

-1

2.18E-04

HEALTH & SAFETY NFPA classification

HMIS classification

UN risk phrases, R

R11,R36,R66,R67

US safety phrases, S

S2,S16,S26,S29,S33

UN number

-

UN/NA hazard class

3

UN packaging group

II

1276

DOT class

UN 1276 PROPYL ACETATE, 3, II

ICAO/IATA class, packaging group

UN 1276 PROPYL ACETATE, 3, II

IMDG class, packaging group

UN 1276 PROPYL ACETATE, 3, II

Proper shipping name

propyl acetate

Autoignition temperature

o

C

Flash point

o

C

Flash point method

-

SCC

Explosion limit, lower

wt%

1.37

Explosion limit, upper

wt%

8.0

380 11.8

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Propyl acetate, nPARAMETER

UNIT

Threshold limiting value – TWA 8h, ACGIH

mg m-3

835

Threshold limiting value – TWA 8h, ACGIH

ppm

200

Threshold limiting value – TWA 8h, NIOSH

mg m-3

840

Threshold limiting value – TWA 8h, NIOSH

ppm

200

Threshold limiting value – TWA 8h, OSHA

mg m-3

840

Threshold limiting value – TWA 8h, OSHA

ppm

200

Maximum exposure concentration NIOSH-IDLH

mg m-3

34,000

Maximum exposure concentration NIOSH-IDLH

ppm

1,700

Maximum concentration, any time, ACGIH

ppm

200

Maximum concentration, any time, NIOSH

mg m-3

840

Maximum concentration, any time, NIOSH

ppm

200

Maximum concentration, any time, OSHA

mg m

Maximum concentration, any time, OSHA

ppm

200

Maximum concentration, 15 min., ACGIH

mg m-3

1,040

Maximum concentration, 15 min., ACGIH

ppm

250

Maximum concentration, 15 min., NIOSH

mg m-3

1,050

Maximum concentration, 15 min., NIOSH

ppm

250

Maximum concentration, 15 min., OSHA

mg m-3

1,050

Maximum concentration, 15 min., OSHA

ppm

250

Animal testing, acute toxicity, Rat oral LD50

mg kg

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

>2,000 to 17,760

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

8,000/4H; 26,000/0.5H

Ingestion

Harmful if swallowed.

Eye irritation

Irritating to eyes.

Inhalation

Irritation of nose & larynx. Vapors may cause dizziness and drowsiness. MAY CAUSE ANESTHETIC EFFECTS.

First aid: inhalation

Remove immediately the affected individual into fresh air and keep the person calm. Assist in breathing if necessary. Immediate medical attention required.

Target organs

RspSys,Eye,Skin,CNS

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

Mutagenic properties

Y

-3

-1

VALUE

840

9,370-9,800

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Propyl acetate, nPARAMETER

UNIT

VALUE

Biological oxygen demand, 5 days

g g-1

1.26

Chemical oxygen demand

gg

-1

2.04

Theoretical oxygen demand

gg

-1

2.04

Aquatic toxicity, Daphnia magna, 48-h LC50

mg l-1

100.5

Aquatic toxicity Fathead minnow, 96-h LC50

mg l

60-80

ECOLOGICAL PROPERTIES

-1

Bioconcentration factor

-

0.38

Biodegradation probability

-

72% 20 days

Hydroxyl rate constant

cm3 molecule-1 s-1

3.40E-12

Montreal protocol

-

N

Partition coefficient

logKow

1.24

Urban ozone formation potential

C2H4=1

0.07

Soil absorption constant

-

1.29

USE & PERFORMANCE Recommended for products

Printing inks, coatings, wood lacquers, nail care, resin solutions, cosmetics, personal care solvent, process solvent

Features & benefits

Good solvency power

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Propyl propionate PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Propyl propionate

CAS #

-

106-36-5

IUPAC name

propyl propanoate

Common name

n-propyl propionate

Empirical formula

-

C6H12O2

Formula

CH3CH2COCH2CH2CH3 O

Molecular mass

daltons

116.16

Chemical category

-

ester

Mixture

-

N

EC number

-

203-389-7

-

L

PHYSICAL PROPERTIES State Odor

-

fruity

Color

-

colorless

Boiling point

o

C

Freezing point

o

C

Refractive index at 20oC

-

1.3940

Specific gravity

-

0.881

Specific gravity temperature

o

Vapor density

air=1

4.00

Vapor pressure

kPa

1.33

Vapor pressure temperature

o

Enthalpy of vaporization

kJ mol

Enthalpy of vaporization temperature

K

Corrosivity

-

Molar volume

cm mol

Coefficients of Antoine equation

coefficient A

4.56197

coefficient B

1607.568

coefficient C

-42.738

Temperature range of Antoine equation

K

258.9 to 395.5

Viscosity

mPas (cP)

0.636

Viscosity temperature

o

Solubility in water at 20oC

mg kg-1

Heat of combustion at 25 C

MJ kg

Coefficient of thermal expansion

10

123.0 -76.0

C

20

C

20 395.6 N 3

o

35.54

-1

132.5

-1

C

25

-4 o

4500 30.76

-1

C (K ) -1

-1

11.60

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Propyl propionate PARAMETER

UNIT

VALUE

Hansen solubility parameters, (MPa)1/2

dD

15.5

dP

5.6

dH

5.7

Henry’s law constant

atm/m3-mol-1

4.73E-04

Relative permittivity

-

4.70

HEALTH & SAFETY UN risk phrases, R

R10,R20,R37,R51/53,R65

US safety phrases, S

S24,S37,S61,S62

UN number

-

UN/NA hazard class

3

UN packaging group

II

3272

DOT class

3, II

ICAO/IATA class, packaging group

UN 3272 ESTERS, N.O.S. (PROPYL PROPIONATE), 3, II

IMDG class, packaging group

UN 3272 ESTERS, N.O.S. (PROPYL PROPIONATE), 3, II

Proper shipping name

ester, n.o.s. (propyl propionate)

Autoignition temperature

o

C

444

Flash point

o

C

22

Explosion limit, lower

wt%

Explosion limit, upper

wt%

7.70

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

5,000

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

5,000

Route of entry

Inh

Skin irritation

May cause skin irritation.

Inhalation

Harmful if inhaled.

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

1.30

ECOLOGICAL PROPERTIES Montreal protocol

-

N

Partition coefficient

logKow

1.85

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Propylene carbonate PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Propylene carbonate

CAS #

-

108-32-7

IUPAC name

4-methyl-1,3-dioxolan-2-one

Common name

propylene glycol carbonate

Common synonym

carbonic acid propylene glycol ester

Empirical formula

-

C4H6O3

Formula

H 3C

O O O

Molecular mass

daltons

102.09

RTECS number

-

FF9650000

Chemical category

-

ester

Mixture

-

N

EC number

-

203-572-1

Product contents

propylene carbonate 99.9 wt%, propylene glycol <20 ppm, water <20 ppm

PHYSICAL PROPERTIES State

-

L

Odor

-

fruity

Color

colorless to yellowish

Boiling point

o

C

241.7

Freezing point

o

C

-49.00

Refractive index at 20 C

-

1.4200

Specific gravity

-

1.200

Specific gravity temperature

o

Vapor density

air=1

3.52

Vapor pressure

kPa

0.003

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

0.01

Enthalpy of vaporization

kJ mol-1

55.23

Enthalpy of vaporization temperature

K

423.0

Acceptor number

-

Donor number

kcal mol

-1

Polarity parameter, ET(30)

kcal mol

-1

Corrosivity

-

N

Molar volume

cm3 mol-1

85.2

o

C

20

C

20

18.3 15.1 46.0

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Propylene carbonate PARAMETER

UNIT

Viscosity

mPas (cP)

Viscosity temperature

o

Surface tension at 20oC

mN m-1

41.39

Heat of combustion at 25oC

MJ kg-1

18.05

Hildebrand solubility parameter

(MPa)

27.21

Hansen solubility parameters, (MPa)

1/2

VALUE 2.53

C

25

1/2

dD

20.0

dP

18.0

dH

4.1

Henry’s law constant

atm/m -mol

Relative permittivity

-

64.92

Flammability

1

Health

1

Reactivity

0

Flammability

1

Health

1

Reactivity

0

3

-1

3.63E-04

HEALTH & SAFETY NFPA classification

HMIS classification

UN risk phrases, R

R36

US safety phrases, S

S2

UN/NA hazard class

not regulated

Flash point method

-

Explosion limit, lower

wt%

132

Animal testing, acute toxicity, Rat oral LD50

mg kg

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

TOC -1

29,100 2,000

Route of entry

Inh, Ing, Con

Ingestion

May cause gastrointestinal tract irritation.

Eye irritation

Causes eye irritation

Inhalation

May cause respiratory tract irritation.

Target organs

GI,RspSys

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Theoretical oxygen demand

g g-1

1.25

Bioconcentration factor

-

-0.20

Biodegradation probability

-

days-weeks

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Propylene carbonate PARAMETER

UNIT

VALUE

Hydroxyl rate constant

cm3 molecule-1 s-1

4.32E-12

Montreal protocol

-

N

Partition coefficient

logKow

-0.41

Urban ozone formation potential

C2H4=1

0.08

Soil absorption constant

-

1.17

USE & PERFORMANCE Recommended for products

Solvent for foundry, polyester polyol, wire coating, polyurethane, pesticide formulation and coating applications.

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Propylene glycol monomethyl ether acetate PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Propylene glycol monomethyl ether acetate

CAS #

-

IUPAC name

1-methoxypropan-2-yl acetate

Common name

methoxypropyl acetate

Common synonym

1-methoxy-2-propyl acetate

Empirical formula

-

108-65-6

C6H12O3

Formula

CH3COCHCH2OCH3 O

Molecular mass

daltons

132.16

RTECS number

-

AI8925000

Chemical category

-

ester

Mixture

-

N

EC number

-

203-603-9

Product contents

1-methoxypropan-2-yl acetate >99.5 wt%

PHYSICAL PROPERTIES State

-

L

Odor

-

fruity ester

Color

-

colorless

Boiling point

o

C

146.0

Freezing point

o

C

-67.0

Refractive index at 20 C o

-

1.4000

Specific gravity

-

Specific gravity temperature

o

0.968

Vapor density

air=1

4.60

Vapor pressure

kPa

0.37

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

0.40

Evaporation rate

ether=1

30.2

Molar volume

cm mol

Viscosity

mPas (cP)

Viscosity temperature

o

Surface tension at 20oC

mN m-1

26.00

Solubility in water at 20 C

mg kg

198,000

Heat of combustion at 25oC

MJ kg-1

C

20

C

20

3

o

C

-1

137.1 1.17 20

-1

25.68

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

469

Propylene glycol monomethyl ether acetate PARAMETER

UNIT

VALUE

Hansen solubility parameters, (MPa)1/2

dD

15.6

dP

5.6

Henry’s law constant

dH

9.8

atm/m3-mol-1

3.62E-06

Flammability

2

Health

0

Reactivity

0

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R10,R36

US safety phrases, S

S25

UN number

-

3272

UN/NA hazard class

3

UN packaging group

III

DOT class

3, III

ICAO/IATA class, packaging group

UN 3272 ESTERS, N.O.S. (1-METHOXY-2-PROPYLACETATE), 3, III

IMDG class, packaging group

UN 3272 ESTERS, N.O.S. (1-METHOXY-2-PROPYLACETATE), 3, III

Proper shipping name

1-methoxy-2-propylacetate

Autoignition temperature

o

C

Flash point

o

C

Flash point method

-

CC

Explosion limit, lower

wt%

1.50

Explosion limit, upper

wt%

7.00

Threshold limiting value – TWA 8h, ACGIH

mg m-3

275

Threshold limiting value – TWA 8h, ACGIH

ppm

50

Threshold limiting value – TWA 8h, OSHA

mg m-3

137

Threshold limiting value – TWA 8h, OSHA

ppm

25

354 42

Animal testing, acute toxicity, Rat oral LD50

mg kg

-1

8,532

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

5,000

Route of entry

Inh, Con

Eye irritation

Irritating to eyes.

Target organs

RspSys,Eye,CNS,Lvr,Kdny

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

Mutagenic properties

N

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

470

Propylene glycol monomethyl ether acetate PARAMETER

UNIT

VALUE

Biological oxygen demand, 5 days

g g-1

0.36

Chemical oxygen demand

gg

-1

1.11

Theoretical oxygen demand

gg

-1

Bioconcentration factor

-

Biodegradation probability

-

Hydroxyl rate constant

cm molecule s

1.20E-11

Montreal protocol

-

N

ECOLOGICAL PROPERTIES

1.82 0.01 days-weeks

3

-1

-1

Partition coefficient

logKow

0.56

Urban ozone formation potential

C2H4=1

0.25

Soil absorption constant

-

0.36

Manufacturer

-

Eastman Chemical

Recommended for products

Effective retarder solvent for use in lacquers, thinners, and baking enamels, can also be used in edge bead removal after spin coating processes.

USE & PERFORMANCE

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

471

Triethyl phosphate PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Triethyl phosphate

CAS #

-

78-40-0

IUPAC name

1-diethoxyphosphoryloxyethane

Common name

ethyl phosphate

Common synonym

phosphoric acid triethyl ester

Acronym

-

TEP

Empirical formula

-

C6H15O4

Formula

O O P O O

Molecular mass

daltons

182.16

RTECS number

-

TC7900000

Chemical category

-

ester

Mixture

-

N

EC number

-

201-114-5

PHYSICAL PROPERTIES State

-

L

Odor

-

mild, cider-like

Color

-

colorless

Boiling point

o

C

209.0

Freezing point

o

C

-56.00

Refractive index at 20 C o

-

1.4020

Specific gravity

-

Specific gravity temperature

o

1.067

Vapor pressure

kPa

Vapor pressure temperature

o

Molar volume

cm mol

Coefficients of Antoine equation

coefficient A

4.89237

coefficient B

2277.195

coefficient C

-19.17

Temperature range of Antoine equation

K

312.7 to 484.0

Viscosity

mPas (cP)

1.76

Viscosity temperature

o

C

20 0.13

C

40 3

-1

C

20

Solubility in water at 20 C

mg kg

Coefficient of thermal expansion

10-4 oC-1 (K-1)

o

170.8

-1

500,000 9.19

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472

Triethyl phosphate PARAMETER

UNIT

VALUE

Hansen solubility parameters, (MPa)1/2

dD

16.7

dP

11.4

Henry’s law constant

dH

9.2

atm/m3-mol-1

1.03E-07

Flammability

1

Health

1

Reactivity

1

HEALTH & SAFETY NFPA classification

UN/NA hazard class

not regulated

UN packaging group

not regulated

DOT class

not regulated

ICAO/IATA class, packaging group

not regulated

IMDG class, packaging group

not regulated

Autoignition temperature

o

C

Flash point

o

C

Flash point method

-

PMCC

Explosion limit, lower

wt%

1.7

Explosion limit, upper

wt%

10.0

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

1,600

Animal testing, acute toxicity, Mouse oral LD50

mg kg-1

1,500

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

20,000

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

Ingestion

Harmful if swallowed. May be fatal.

Skin irritation

May cause severe irritation & possible burns.

Eye irritation

May cause severe irritation & possible burns.

Inhalation

Inhalation may cause headache, nausea, vomiting, dizziness, narcosis, respiratory failure, low blood pressure.

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

455 99

-1

>8817 mg/cu m/4 hours

ECOLOGICAL PROPERTIES Aquatic toxicity, Daphnia magna, 96-h LC50

mg l-1

>100

Aquatic toxicity, Daphnia magna, 48-h LC50

mg l

-1

350

Aquatic toxicity Fathead minnow, 96-h LC50

mg l

-1

>100

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

473

Triethyl phosphate PARAMETER

UNIT

VALUE

Montreal protocol

-

N

Partition coefficient

logKow

0.80

USE & PERFORMANCE Manufacturer

China MainChem Co., Ltd, TCI (Tokyo Chemical Industry)

Recommended for products

flame retardants, solvents, process regulators, building construction materials

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

474

3.10 Ethers Dibutyl ether PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Dibutyl ether

CAS #

-

142-96-1

IUPAC name

1-butoxybutane

Common name

N-butyl ether

Common synonym

1,1'-oxybis(butane)

Acronym

-

DBE

Empirical formula

-

C8H18O

Formula

CH3(CH2)3O(CH2)3CH3

Molecular mass

daltons

130.26

RTECS number

-

EK5425000

Chemical category

-

ether

Mixture

-

N

EC number

-

205-575-3

PHYSICAL PROPERTIES State

-

L

Odor

-

ethereal

Color

-

colorless

Boiling point

o

C

141.0

Freezing point

o

C

-95.20

Refractive index at 20 C o

-

1.3970

Specific gravity

-

Specific gravity temperature

o

0.764

Vapor density

air=1

4.50

Vapor pressure

kPa

0.801

Vapor pressure temperature

o

C

25

C

25 44.35

Enthalpy of vaporization

kJ mol

Enthalpy of vaporization temperature

K

Donor number

kcal mol-1

Polarity parameter, ET(30)

kcal mol

Acid dissociation constant

-

Corrosivity

-

Molar volume

cm mol

Coefficients of Antoine equation

coefficient A

3.93018

coefficient B

1302.768

coefficient C

-81.481

-1

298.2 -1

19.0 33.0 -5.40 N

3

-1

170.4

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475

3.10 Ethers Dibutyl ether PARAMETER

UNIT

VALUE

Temperature range of Antoine equation

K

362.3 to 413.2

Viscosity

mPas (cP)

0.602

Viscosity temperature

o

Surface tension at 20oC

mN m-1

21.99

Solubility in water at 20 C

mg kg

-1

300

Heat of combustion at 25 C

MJ kg

-1

40.93

Specific heat at 25oC

kJ K-1 mol-1

Coefficient of thermal expansion

10

Hildebrand solubility parameter

(MPa)

Hansen solubility parameters, (MPa)1/2

dD

15.2

dP

3.4

o

o

C

30

-4 o

C (K ) -1

-1

1/2

251.96 11.10 15.87

dH

3.2

Henry’s law constant

atm/m3-mol-1

5.89E-03

Relative permittivity

-

3.08

Flammability

3

Health

2

HEALTH & SAFETY NFPA classification

HMIS classification

UN risk phrases, R

Reactivity

0

Flammability

3

Health

1

Reactivity

1

R10,R36/37/38,R52-53

US safety phrases, S

S2,S61

UN number

-

UN/NA hazard class

3

UN packaging group

III

DOT class

3, III

ICAO/IATA class, packaging group

UN 1149 DIBUTYL ETHERS, 3, III

1149

IMDG class, packaging group

UN 1149 DIBUTYL ETHERS, 3, III

Proper shipping name

dibutylethers

Autoignition temperature

o

C

Flash point

o

C

Flash point method

-

CC

Explosion limit, lower

wt%

1.50

Explosion limit, upper

wt%

7.60

Threshold limiting value – TWA 8h, OSHA

ppm

Animal testing, acute toxicity, Rat oral LD50

mg kg

194 25

100 -1

7,400

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476

3.10 Ethers Dibutyl ether PARAMETER

UNIT

VALUE

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

10000

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

32/15M

Route of entry

Inh, Ing, Con

Target organs

Skin,RspSys,CNS

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

Mutagenic properties

N

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

Theoretical oxygen demand

gg

Bioconcentration factor

-

129

Biodegradation probability

-

days

Hydroxyl rate constant

cm3 molecule-1 s-1

2.24E-11

Montreal protocol

-

N

-1

0.48 2.95

Partition coefficient

logKow

3.21

Urban ozone formation potential

C2H4=1

0.34

Soil absorption constant

-

3.05

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

477

Diethyl ether PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Diethyl ether

CAS #

-

60-29-7

IUPAC name

ethoxyethane

Common name

ether, 3-oxapentane

Common synonym

ethyl oxide

Acronym

-

DETETHR

Empirical formula

-

C4H10O

Formula

CH3CH2OCH2CH3

Molecular mass

daltons

74.14

RTECS number

-

KI5775000

Chemical category

-

ether

Mixture

-

N

EC number

-

200-467-2

PHYSICAL PROPERTIES State

-

L

Odor

-

pungent, sweet

Odor threshold

ppm

8.9

Color

-

colorless

Boiling point

o

C

34.4

Freezing point

o

C

-116.30

Refractive index at 20 C

-

1.3520

Specific gravity

-

0.715

Specific gravity temperature

o

Vapor density

air=1

2.60

Vapor pressure

kPa

71.6

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

37.50

Enthalpy of vaporization

kJ mol-1

27.24

Enthalpy of vaporization temperature

K

298.2

Acceptor number

-

Donor number

kcal mol

-1

Polarity parameter, ET(30)

kcal mol

-1

Acid dissociation constant

-

-2.39

Corrosivity

-

N

Molar volume

cm3 mol-1

104.7

o

C

25

C

25

3.9 19.2 34.5

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478

Diethyl ether PARAMETER

UNIT

VALUE

Coefficients of Antoine equation

coefficient A

4.022

coefficient B

1062.64

coefficient C

-44.93

Temperature range of Antoine equation

K

250.0 to 328.6

Viscosity

mPas (cP)

0.242

Viscosity temperature

o

Surface tension at 20oC

mN m-1

16.50

Solubility in water at 20 C

mg kg

-1

60,000

Heat of combustion at 25 C

MJ kg

-1

36.75

Specific heat at 25oC

kJ K-1 mol-1

172.51

Coefficient of thermal expansion

10

16.60

Hildebrand solubility parameter

(MPa)

Hansen solubility parameters, (MPa)1/2

dD

14.5

dP

2.9

o

o

C

20

-4 o

C (K ) -1

-1

1/2

15.14

dH

4.6

Henry’s law constant

atm/m3-mol-1

3.30E-02

Relative permittivity

-

4.20

Flammability

4

Health

2

HEALTH & SAFETY NFPA classification

HMIS classification

UN risk phrases, R

Reactivity

1

Flammability

4

Health

1

Reactivity

1

R12,R19,R22,R66,R67

US safety phrases, S

S9,S16,S29,S33

UN number

-

UN/NA hazard class

3

UN packaging group

IO

ICAO/IATA class, packaging group

UN 1155 DIETHYL ETHER, 3, I

IMDG class, packaging group

UN 1155 DIETHYL ETHER, 3, I

Proper shipping name

diethyl ether

Autoignition temperature

o

C

Flash point

o

C

Flash point method

-

CC

Explosion limit, lower

wt%

1.70

Explosion limit, upper

wt%

49.0

1155

160 -45.0

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479

Diethyl ether PARAMETER

UNIT

VALUE

Threshold limiting value – TWA 8h, ACGIH

mg m-3

1210

Threshold limiting value – TWA 8h, ACGIH

ppm

400

Threshold limiting value – TWA 8h, OSHA

mg m-3

1,200

Threshold limiting value – TWA 8h, OSHA

ppm

400

Maximum exposure concentration NIOSH-IDLH

mg m-3

56,520

Maximum exposure concentration NIOSH-IDLH

ppm

19,000

Maximum concentration, 15 min., ACGIH

mg m-3

1,520

Maximum concentration, 15 min., ACGIH

ppm

500

Maximum concentration, 15 min., NIOSH

mg m

Maximum concentration, 15 min., NIOSH

ppm

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

1,215

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

20,000

Animal testing, acute toxicity, Rat inhalation, LC50

mg m-3

Route of entry

Inh, Ing, Con

Ingestion

Harmful if swallowed

Skin irritation

Causes skin irritation

Eye irritation

Causes eye irritation

Inhalation

Harmful if inhaled

Target organs

CNS,Skin,RspSys,Eye

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

Mutagenic properties

Y

1,500

-3

500 -1

73,000/2H

ECOLOG ICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

0.03

Biological oxygen demand, 20 days

gg

-1

0.50

Theoretical oxygen demand

gg

-1

Bioconcentration factor

-

Biodegradation probability

-

Hydroxyl rate constant

cm molecule s

1.33E-11

Montreal protocol

-

N

Partition coefficient

logKow

0.89

2.59 0.45 days-weeks

3

-1

-1

Urban ozone formation potential

C2H4=1

0.45

Soil absorption constant

-

0.64

UV absorption

nm

<218

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

480

Diethyl ether PARAMETER

UNIT

VALUE

USE & PERFORMANCE Recommended for polymers

cellulose plastics

Recommended for products

fuels, intermediates, propellants, solvents, explosive materials, cleaning, furnishing care, general anesthetics

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

481

Diisopropyl ether PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Diisopropyl ether

CAS #

-

108-20-3

IUPAC name

2-propan-2-yloxypropane

Common name

isopropyl ether

Common synonym

2,2'-oxybispropane

Acronym

-

DIPE

Empirical formula

-

C6H14O

Formula

CH3

CH3 H3C

O

CH3

Molecular mass

daltons

102.2

RTECS number

-

TZ5425000

Chemical category

-

ether

Mixture

-

N

EC number

-

203-560-6

PHYSICAL PROPERTIES State

-

L

Odor

-

sweet, ether

Odor threshold

ppm

0.017

Color

-

colorless

Boiling point

o

C

Freezing point

o

C

Refractive index at 20oC

-

1.3680

Specific gravity

-

0.718

Specific gravity temperature

o

Vapor density

air=1

3.50

Vapor pressure

kPa

15.9

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

8.42

Evaporation rate

ether=1

1.4

68.5 -85.50

C

25

C

20

32.00

Enthalpy of vaporization

kJ mol

Enthalpy of vaporization temperature

K

298.2

Donor number

kcal mol-1

19.0

Polarity parameter, ET(30)

kcal mol-1

34.1

Acid dissociation constant

-

-4.30

-1

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

482

Diisopropyl ether PARAMETER

UNIT

VALUE

Corrosivity

-

N

Molar volume

cm3 mol-1

141.8

Coefficients of Antoine equation

coefficient A

3.96649

coefficient B

1135.034

coefficient C

-54.92

Temperature range of Antoine equation

K

296.6 to 340.4

Viscosity

mPas (cP)

0.379

Viscosity temperature

o

C

25

Surface tension at 20 C

mN m

-1

17.34

Solubility in water at 20oC

mg kg-1

2,000

Heat of combustion at 25 C

MJ kg

Specific heat at 25 C

kJ K mol

Coefficient of thermal expansion

10-4 oC-1 (K-1)

14.51

Hildebrand solubility parameter

(MPa)1/2

14.44

dD

15.1

dP

3.2

o

o

o

Hansen solubility parameters, (MPa)

-1

1/2

36.58

-1 -1

219.37

dH

3.2

Henry’s law constant

atm/m3-mol-1

2.19E-01

Relative permittivity

-

3.90

Electrical conductivity

pS m

-1

20,000

HEALTH & SAFETY NFPA classification

HMIS classification

UN risk phrases, R

Flammability

3

Health

2

Reactivity

1

Flammability

3

Health

1

Reactivity

1

R11,R19,R66,R67

US safety phrases, S

S9,S16,S29,S33

UN number

-

UN/NA hazard class

3

UN packaging group

II

DOT class

3, II

ICAO/IATA class, packaging group

UN 1159 DIISOPROPYL ETHER, 3, II

IMDG class, packaging group

UN 1159 DIISOPROPYL ETHER, 3, II

Proper shipping name

diisopropyl ether

Autoignition temperature

o

C

1159

405

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

483

Diisopropyl ether PARAMETER

UNIT

Flash point

o

Flash point method

-

CC

Explosion limit, lower

wt%

1.40

Explosion limit, upper

wt%

Threshold limiting value – TWA 8h, ACGIH

mg m

1,040

Threshold limiting value – TWA 8h, ACGIH

ppm

250

Threshold limiting value – TWA 8h, NIOSH

mg m-3

2,100

Threshold limiting value – TWA 8h, NIOSH

ppm

500

C

VALUE -28

22.00 -3

Threshold limiting value – TWA 8h, OSHA

mg m

2,100

Threshold limiting value – TWA 8h, OSHA

ppm

500

Maximum exposure concentration NIOSH-IDLH

mg m-3

42,500

Maximum exposure concentration NIOSH-IDLH

ppm

1,400

Maximum concentration, any time, NIOSH

mg m-3

2,100

Maximum concentration, any time, NIOSH

ppm

500

Maximum concentration, any time, OSHA

mg m

Maximum concentration, any time, OSHA

ppm

Maximum concentration, 15 min., ACGIH

mg m-3

1,300

Maximum concentration, 15 min., ACGIH

ppm

310

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

8,470

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

20,000

Route of entry

Inh, Ing, Con

Target organs

RspSys,Skin

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

Mutagenic properties

N

-3

-3

2,100 500

-1

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

0.19

Chemical oxygen demand

g g-1

1.75

Theoretical oxygen demand

gg

2.82

-1

Bioconcentration factor

-

0.90

Biodegradation probability

-

days-weeks

Hydroxyl rate constant

cm3 molecule-1 s-1

2.31E-11

Montreal protocol

-

N

Partition coefficient

logKow

1.52

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

484

Diisopropyl ether PARAMETER

UNIT

VALUE

Urban ozone formation potential

C2H4=1

0.40

Soil absorption constant

-

1.02

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

485

Dimethoxymethane PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Dimethoxymethane

CAS #

-

109-87-5

IUPAC name

dimethoxymethane

Common name

methylal

Common synonym

formaldehyde dimethylacetal

Empirical formula

-

C3H8O2

Formula

CH3OCH2OCH3

Molecular mass

daltons

76.1

RTECS number

-

PA8750000

Chemical category

-

ether

Mixture

-

N

EC number

-

203-714-2

State

-

L

Odor

-

chloroform-like

Color

-

colorless

Boiling point

o

C

Freezing point

o

C

Refractive index at 20oC

-

1.3540

Specific gravity

-

0.860

Specific gravity temperature

o

Vapor density

air=1

2.63

Vapor pressure

kPa

44

Vapor pressure temperature

o

C

20

Enthalpy of vaporization

kJ mol-1

28.89

Enthalpy of vaporization temperature

K

298.2

Corrosivity

-

N

Molar volume

cm3 mol-1

89.1

Coefficients of Antoine equation

coefficient A

4.03675

coefficient B

1068.35

coefficient C

-50.409

Temperature range of Antoine equation

K

273.0 to 308.0

Viscosity

mPas (cP)

0.335

Viscosity temperature

o

Surface tension at 20 C

mN m

PHYSICAL PROPERTIES

o

43.0 -104.0

C

20

C

25 -1

21.10

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

486

Dimethoxymethane PARAMETER

UNIT

VALUE

Solubility in water at 20oC

mg kg-1

230,000

Heat of combustion at 25 C

MJ kg-1

Coefficient of thermal expansion

10

Hansen solubility parameters, (MPa)1/2

dD

15.0

dP

1.8

o

Henry’s law constant

-4 o

25.08

C (K ) -1

-1

15.20

dH

8.6

atm/m3-mol-1

1.43E-04

Flammability

3

Health

2

Reactivity

2

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R11,R20/21/22,R68/20/21/22

US safety phrases, S

S9,S16,S36/37

UN number

-

1234

UN/NA hazard class

3

UN packaging group

II

ICAO/IATA class, packaging group

UN 1234 METHYLAL, 3, II

IMDG class, packaging group

UN 1234 METHYLAL, 3, II

Proper shipping name

methylal

Autoignition temperature

o

C

Flash point

o

C

-18

Explosion limit, lower

wt%

1.60

Explosion limit, upper

wt%

17.60

Threshold limiting value – TWA 8h, ACGIH

mg m-3

3,100

Threshold limiting value – TWA 8h, ACGIH

ppm

1,000

235

Threshold limiting value – TWA 8h, NIOSH

mg m

3,100

Threshold limiting value – TWA 8h, NIOSH

ppm

1,000

Threshold limiting value – TWA 8h, OSHA

mg m-3

3,100

Threshold limiting value – TWA 8h, OSHA

ppm

1,000

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

6,653

Route of entry

Skin, Eye, Con, Inh

Ingestion

Harmful if swallowed

Skin irritation

May cause skin irritation

Eye irritation

May cause eye irritation

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

-3

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

487

Dimethoxymethane PARAMETER

UNIT

VALUE

Montreal protocol

-

N

Partition coefficient

logKow

0.0

ECOLOGICAL PROPERTIES

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

488

Methyl tert-butyl ether PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Methyl tert-butyl ether

CAS #

-

IUPAC name

2-methoxy-2-methyl-propane

Acronym

-

MTBE

Empirical formula

-

C5H12O

1634-04-4

Formula

CH3 H3C C OCH3 CH3

Molecular mass

daltons

88.17

RTECS number

-

KN5250000

Chemical category

-

ether

Mixture

-

N

EC number

-

216-653-1

Product contents

purity 100%

PHYSICAL PROPERTIES State

-

L

Odor

-

ethereal

Odor threshold

ppm

0.053

Color

-

colorless

Boiling point

o

C

55.2

Freezing point

o

C

-109.0

Refractive index at 20 C

-

1.3690

Specific gravity

-

0.740

Specific gravity temperature

o

Vapor density

air=1

3.23

Vapor pressure

kPa

25

Vapor pressure temperature

o

C

20

Evaporation rate

butyl acetate=1

8.40

Evaporation rate

ether=1

1.6

o

C

20

27.94

Enthalpy of vaporization

kJ mol

Enthalpy of vaporization temperature

K

Corrosivity

-

Molar volume

cm mol

Viscosity

mPas (cP)

Viscosity temperature

o

328.3 N 3

C

-1

-1

119.8 0.35 20

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

489

Methyl tert-butyl ether PARAMETER

UNIT

VALUE

Surface tension at 20oC

mN m-1

18.50

Solubility in water at 20 C

mg kg-1

51,000

Heat of combustion at 25 C

MJ kg

38.07

Specific heat at 25oC

kJ K-1 mol-1

Coefficient of thermal expansion

10

Hildebrand solubility parameter

(MPa)

Hansen solubility parameters, (MPa)1/2

dD

14.8

dP

4.3

o

o

-4 o

-1

C (K ) -1

-1

1/2

191.88 14.40 14.32

dH

5.0

Henry’s law constant

atm/m3-mol-1

5.87E-04

Relative permittivity

-

4.50

Electrical conductivity

pS m

-1

2.00E+04

HEALTH & SAFETY NFPA classification

UN risk phrases, R

Flammability

3

Health

2

Reactivity

1

R11,R38

US safety phrases, S

S9,S16,S24

UN number

-

UN/NA hazard class

3

UN packaging group

II

DOT class

3, II

2398

TDG class

UN 2398 methyl-tert-butyl ether, 3, II

ICAO/IATA class, packaging group

UN 2398 methyl-tert-butyl ether, 3, II

IMDG class, packaging group

UN 2398 methyl-tert-butyl ether, 3, II

Proper shipping name

methyl-tert-butyl ether

Autoignition temperature

o

C

460

Flash point

o

C

-33.0

Explosion limit, lower

wt%

1.00

Explosion limit, upper

wt%

Threshold limiting value – TWA 8h, ACGIH

mg m

144

Threshold limiting value – TWA 8h, ACGIH

ppm

40

Maximum concentration, any time, ACGIH

ppm

8.00 -3

50

Animal testing, acute toxicity, Rat oral LD50

mg kg

-1

2,000

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

2,000

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

5,000/1H

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

490

Methyl tert-butyl ether PARAMETER

UNIT

VALUE

Route of entry

Inh, Ing

Ingestion

Aspiration of material into the lungs may cause chemical pneumonitis.

Skin irritation

Causes skin irritation.

Eye irritation

Causes eye irritation.

Inhalation

Causes respiratory tract irritation. May cause kidney damage.

First aid: eyes

Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid

Target organs

CNS,Adrenal,Kdny,Lvr

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

Mutagenic properties

N

ECOLOGICAL PROPERTIES Theoretical oxygen demand

g g-1

1.63

Bioconcentration factor

-

0.18

Biodegradation probability

-

days-weeks

Hydroxyl rate constant

cm3 molecule-1 s-1

2.83E-12

Montreal protocol

-

N

Partition coefficient

logKow

0.94

Urban ozone formation potential

C2H4=1

0.07

Soil absorption constant

-

1.05

USE & PERFORMANCE Manufacturer

Shell Chemicals, Lyondell Chemical Company

Recommended for products

Extraction solvent

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

491

tert-Amyl methyl ether PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

tert-Amyl methyl ether

CAS #

-

994-05-8

IUPAC name

2-methoxy-2-methyl-butane

Common name

1,1-dimethylpropyl methyl ether

Common synonym

2-methyl-2-methoxybutane

Empirical formula

-

C6H14O

Formula

CH3CH2COCH3 H3C CH3

Molecular mass

daltons

102.18

RTECS number

-

EK4421000

Chemical category

-

ether

Mixture

-

N

EC number

-

213-611-4

Properties

has tendency to form peroxides

Product contents

assay >98 wt%, C7 <1 wt%, C5 <0.5 wt%, benzene <0.02 wt%, methanol <0.1 wt%

PHYSICAL PROPERTIES State

-

L

Odor

-

camphor-like

Color

-

colorless

Boiling point

o

C

86.3

Freezing point

o

C

-80.0

Refractive index at 20 C

-

1.3890

Specific gravity

g cm-3

0.766

Evaporation rate

ether=1

3.0

Corrosivity

-

N

Viscosity

mPas (cP)

0.42

Viscosity temperature

o

Surface tension at 20oC

mN m-1

22.60

Solubility in water at 20 C

mg kg

12,000

Heat of combustion at 25 C

MJ kg

Hansen solubility parameters, (MPa)1/2

dD

15.2

dP

4.5

dH

4.4

o

o

o

C

20 -1

-1

30.37

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

492

tert-Amyl methyl ether PARAMETER

UNIT

VALUE

HEALTH & SAFETY UN risk phrases, R

R11,R22

US safety phrases, S

S9,S16,S33

UN number

-

UN/NA hazard class

3

UN packaging group

II

3271

DOT class

3, II

ICAO/IATA class, packaging group

UN 3271 ETHERS, N.O.S. (TERT-AMYLMETHYLETHER), 3, II

IMDG class, packaging group

UN 3271 ETHERS, N.O.S. (TERT-AMYLMETHYLETHER), 3, II

Autoignition temperature

o

C

Flash point

o

C

Flash point method

-

Ingestion

Harmful if swallowed.

Skin irritation

Causes skin irritation.

Eye irritation

Causes eye irritation

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

415 -7.0 CC

ECOLOGICAL PROPERTIES Montreal protocol

-

N

Partition coefficient

logKow

1.92

USE & PERFORMANCE Recommended for products

Paraffin-removing agent and general solvent

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

493

3.11 Glycol ethers Diethylene glycol dibutyl ether PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Diethylene glycol dibutyl ether

CAS #

-

112-73-2

IUPAC name

1-[2-(2-butoxyethoxy)ethoxy]butane

Common name

butyl diglyme

Common synonym

dibutyl carbinol

Empirical formula

-

C12H26O3

Formula

CH3(CH2)3OCH2CH O 2

Molecular mass

daltons

218.38

RTECS number

-

KN0350000

Chemical category

-

glycol ether

Mixture

-

N

EC number

-

204-001-9

Product contents

purity >98.5%

PHYSICAL PROPERTIES State

-

L

Odor

-

mild, ether

Color

-

colorless

Boiling point

o

C

Freezing point

o

C

Refractive index at 20oC

-

1.4240

Specific gravity

-

0.890

Specific gravity temperature

o

Vapor density

air=1

7.53

Vapor pressure

kPa

0.00133

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

0.001

Corrosivity

-

N

Molar volume

cm3 mol-1

247.8

Viscosity

mPas (cP)

2.39

Viscosity temperature

o

Surface tension at 20oC

mN m-1

27.00

Solubility in water at 20 C

mg kg

-1

3,000

Heat of combustion at 25 C

MJ kg

-1

34.88

Specific heat at 25oC

kJ K-1 mol-1

451.87

Coefficient of thermal expansion

10

8.80

o

o

256.0 -60.0

C

20

C

20

C

20

-4 o

C (K ) -1

-1

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

494

3.11 Glycol ethers Diethylene glycol dibutyl ether PARAMETER

UNIT

Hildebrand solubility parameter Hansen solubility parameters, (MPa)

1/2

VALUE

(MPa)1/2

16.98

dD

15.8

dP

4.7

dH Henry’s law constant

4.4

atm/m -mol 3

1.14E-06

-1

HEALTH & SAFETY NFPA classification

Flammability

1

Health

1

Reactivity

0

US safety phrases, S

S24/25

DOT class

not regulated

Autoignition temperature

o

C

310

Flash point

o

C

118

Flash point method

-

TOC

Explosion limit, lower

wt%

0.60

Explosion limit, upper

wt%

Animal testing, acute toxicity, Rat oral LD50

7.00 -1

mg kg

3,900

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

-1

4,040

Route of entry

Inh, Ing, Con

Skin irritation

Causes serious skin irritation

Eye irritation

Causes serious eye irritation

Inhalation

Causes respiratory tract irritation

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

Mutagenic properties

N

ECOLOGICAL PROPERTIES Theoretical oxygen demand

g g-1

1.54

Bioconcentration factor

-

2.14

Biodegradation probability

-

Hydroxyl rate constant

cm molecule s

5.18E-11

Montreal protocol

-

N

Partition coefficient

logKow

1.92

Urban ozone formation potential

C2H4=1

0.37

Soil absorption constant

-

0.77

days 3

-1

-1

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

495

Diethylene glycol dimethyl ether PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Diethylene glycol dimethyl ether

CAS #

-

111-96-6

IUPAC name

1-methoxy-2-(2-methoxyethoxy)ethane

Common name

diglyme

Common synonym

bis(2-methoxyethyl) ether

Empirical formula

-

C6H14O3

Formula

CH3CH2CH2OCH2CH2OCH3

Molecular mass

daltons

134.2

RTECS number

-

KN3339000

Chemical category

-

glycol ether

EC number

-

203-924-4

State

-

L

Color

-

colorless

Boiling point

o

C

162.0

Freezing point

o

C

-68.0

PHYSICAL PROPERTIES

Refractive index at 20 C o

-

1.4060

Specific gravity

-

Specific gravity temperature

o

Vapor density

air=1

4.63

Vapor pressure

kPa

0.2266

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

0.36

Enthalpy of vaporization

kJ mol-1

44.70

Enthalpy of vaporization temperature

K

298.2

Acceptor number

-

9.9

Polarity parameter, ET(30)

kcal mol-1

38.6

Corrosivity

-

N

Molar volume

cm mol

Coefficients of Antoine equation

coefficient A

Temperature range of Antoine equation

0.938

C

25

C

20

3

-1

142.9 4.87223

coefficient B

1922.137

coefficient C

-38.063

K

286.0 to 432.9

Viscosity

mPas (cP)

Viscosity temperature

o

C

1.14 20

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

496

Diethylene glycol dimethyl ether PARAMETER

UNIT

VALUE

Surface tension at 20oC

mN m-1

29.50

Solubility in water at 20 C

mg kg-1

infinite

Heat of combustion at 25 C

MJ kg

29.74

Specific heat at 25oC

kJ K-1 mol-1

Coefficient of thermal expansion

10

Hildebrand solubility parameter

(MPa)

Hansen solubility parameters, (MPa)1/2

dD

15.7

dP

6.1

o

o

Henry’s law constant

-4 o

-1

C (K ) -1

-1

1/2

226.35 10.60 19.23

dH

6.5

atm/m3-mol-1

2.28E-09

Flammability

2

Health

1

Reactivity

1

Flammability

2

Health

1

Reactivity

2

HEALTH & SAFETY NFPA classification

HMIS classification

UN risk phrases, R

R10,R19,R60,R61

US safety phrases, S

S53,S45

UN number

-

UN/NA hazard class

3

UN packaging group

III

3271

DOT class

3, III

ICAO/IATA class, packaging group

UN 3271 ETHERS, N.O.S. (DIETHYLENGLYCOLDIMETHYLETHER), 3, III

IMDG class, packaging group

UN 3271 ETHERS, N.O.S. (DIETHYLENGLYCOLDIMETHYLETHER), 3, III

Proper shipping name

ethers, n.o.s. (diethylenglycoldimethylether)

Autoignition temperature

o

C

190

Flash point

o

C

56

Flash point method

-

CC

Explosion limit, lower

wt%

1.30

Explosion limit, upper

wt%

14.20

Animal testing, acute toxicity, Rat oral LD50

-1

mg kg

16,500

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

13,300

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

497

Diethylene glycol dimethyl ether PARAMETER

UNIT

VALUE

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

11/7H

Route of entry

Inh, Ing, Con

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

Mutagenic properties

Y

ECOLOGICAL PROPERTIES Theoretical oxygen demand

g g-1

1.07

Bioconcentration factor

-

-0.60

Biodegradation probability

-

days-weeks

Hydroxyl rate constant

cm3 molecule-1 s-1

1.75E-11

Montreal protocol

-

N

Partition coefficient

logKow

-0.36

Urban ozone formation potential

C2H4=1

0.47

Soil absorption constant

-

-0.80

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

498

Diethylene glycol monobutyl ether PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Diethylene glycol monobutyl ether

CAS #

-

112-34-5

IUPAC name

2-(2-butoxyethoxy)ethanol

Common name

butyl carbitol

Common synonym

butyl diglycol ether

Acronym

-

DGBE

Empirical formula

-

C8H18O3

Formula

HOCH2CH2OCH2CH2O(CH2)3CH3

Molecular mass

daltons

162.26

RTECS number

-

KJ9100000

Chemical category

-

glycol ether

Mixture

-

N

EC number

-

203-961-6

-

L

PHYSICAL PROPERTIES State Odor

-

butyl

Color

-

colorless

Boiling point

o

C

231.0

Freezing point

o

C

-68.10

Refractive index at 20 C o

-

1.4320

Specific gravity

-

Specific gravity temperature

o

Vapor density

air=1

5.60

Vapor pressure

kPa

0.0133

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

0.02

Corrosivity

-

N

Molar volume

cm3 mol-1

170.4

Coefficients of Antoine equation

coefficient A

3.67536

coefficient B

1379.086

coefficient C

-133.841

Temperature range of Antoine equation

K

323.3 to 426.0

Viscosity

mPas (cP)

5.832

Viscosity temperature

o

Solubility in water at 20 C o

0.967

C

20

C

20

C

mg kg

20 -1

infinite

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

499

Diethylene glycol monobutyl ether PARAMETER

UNIT

Heat of combustion at 25oC

MJ kg-1

30.81

Coefficient of thermal expansion

10-4 oC-1 (K-1)

9.24

Hildebrand solubility parameter

(MPa)1/2

19.29

Hansen solubility parameters, (MPa)1/2

dD

16.0

dP

7.0

Henry’s law constant

VALUE

dH

10.6

atm/m3-mol-1

1.52E-09

Flammability

2

Health

1

Reactivity

0

Flammability

1

Health

1

Reactivity

1

HEALTH & SAFETY NFPA classification

HMIS classification

UN risk phrases, R

R36

US safety phrases, S

S2,S24,S26

DOT class

not regulated

Autoignition temperature

o

C

227

Flash point

o

C

114

Flash point method

-

CC

Explosion limit, lower

wt%

0.80

Explosion limit, upper

wt%

9.40 100

Threshold limiting value – TWA 8h, ACGIH

mg m

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

5,660

Animal testing, acute toxicity, Mouse oral LD50

mg kg

-1

2,400

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

-1

2,700

Route of entry

Inh, Ing, Con

Ingestion

May be harmful if swallowed

Skin irritation

Causes skin irritation. May be absorbed through the skin

Eye irritation

Causes eye irritation. May cause transient corneal injury

Inhalation

May cause respiratory tract irritation

Chronic effects

May cause kidney injury, central nervous damage, bluish discoloration of skin

Target organs

Spleen,Lymph,Kdny,Lvr,CNS

Carcinogenicity IARC

N

-3

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

500

Diethylene glycol monobutyl ether PARAMETER

UNIT

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

Mutagenic properties

Y

VALUE

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

1.18

Chemical oxygen demand

gg

-1

2.08

Theoretical oxygen demand

gg

-1

Bioconcentration factor

-

-0.10

Biodegradation probability

-

days-weeks

Hydroxyl rate constant

cm3 molecule-1 s-1

3.62E-11

Montreal protocol

-

N

2.17

Partition coefficient

logKow

0.56

Urban ozone formation potential

C2H4=1

0.45

Soil absorption constant

-

-0.60

USE & PERFORMANCE Manufacturer

Eastman Chem., Dow Chemical, Acros Organics N.V., Brenntag NV

Recommended for products

Paints, coatings, Inks, house hold cleaning

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

501

Diethylene glycol monoethyl ether PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Diethylene glycol monoethyl ether

CAS #

-

111-90-0

IUPAC name

2-(2-ethoxyethoxy)ethanol

Common name

ethyl diglycol ether

Common synonym

dioxitol

Empirical formula

-

Formula

C6H14O3

CH3CH2OCH2CH2OCH2CH2OH

Molecular mass

daltons

134.2

RTECS number

-

KK8750000

Chemical category

-

glycol ether

Mixture

-

N

EC number

-

203-919-7

State

-

L

Color

-

colorless

Boiling point

o

C

202.0

Freezing point

o

C

-80.0

PHYSICAL PROPERTIES

Refractive index at 20 C

-

1.4270

Specific gravity

-

0.984

Specific gravity temperature

o

Vapor density

air=1

4.63

Vapor pressure

kPa

0.016

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

0.01

Enthalpy of vaporization

kJ mol-1

47.45

Enthalpy of vaporization temperature

K

bp

Corrosivity

-

Molar volume

cm mol

Coefficients of Antoine equation

coefficient A

5.75422

coefficient B

2708.472

coefficient C

-4.207

Temperature range of Antoine equation

K

318.4 to 475.0

Viscosity

mPas (cP)

3.85

Viscosity temperature

o

Surface tension at 20 C

mN m

o

C

25

C

20

N 3

o

C

-1

136.3

25 -1

29.53

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

502

Diethylene glycol monoethyl ether PARAMETER

UNIT

VALUE

Solubility in water at 20oC

mg kg-1

infinite

Heat of combustion at 25 C

MJ kg-1

Specific heat at 25 C

kJ K mol

Hildebrand solubility parameter

(MPa)1/2

19.64

dD

16.1

dP

9.2

o

o

Hansen solubility parameters, (MPa)

-1

1/2

25.95 301.25

-1

dH Henry’s law constant

12.2

atm/m -mol 3

-1

2.23E-10

HEALTH & SAFETY NFPA classification

HMIS classification

Flammability

1

Health

1

Reactivity

0

Flammability

1

Health

1

Reactivity

1

UN risk phrases, R

R36,R20

US safety phrases, S

S26,S39

UN number

-

UN/NA hazard class

2.3

1040

DOT class

not regulated

Autoignition temperature

o

C

204

Flash point

o

C

96

Flash point method

-

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

550

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

8,500

Route of entry

Inh, Ing, Con

Target organs

CNS,Bld,CVS,Kdny,Lvr,RspSys

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

Mutagenic properties

N

OC -1

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

0.58

Chemical oxygen demand

gg

-1

1.85

Theoretical oxygen demand

g g-1

1.91

Bioconcentration factor

-

-0.30

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

503

Diethylene glycol monoethyl ether PARAMETER

UNIT

VALUE

Biodegradation probability

-

days-weeks

Hydroxyl rate constant

cm3 molecule-1 s-1

2.93E-11

Montreal protocol

-

N

Partition coefficient

logKow

-0.54

Urban ozone formation potential

C2H4=1

0.52

Soil absorption constant

-

1.30

USE & PERFORMANCE Recommended for products

Soaps, dyes

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

504

Diethylene glycol monomethyl ether PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Diethylene glycol monomethyl ether

CAS #

-

111-77-3

IUPAC name

2-(2-methoxyethoxy)ethanol

Common name

methyl diglycol

Acronym

-

DGME

Empirical formula

-

C5H12O3

Formula

CH3OCH2CH2OCH2CH2OH

Molecular mass

daltons

120.17

RTECS number

-

KL6125000

Chemical category

-

glycol ether

Mixture

-

N

EC number

-

203-906-6

State

-

L

Color

-

colorless

Boiling point

o

C

193.0

Freezing point

o

C

-69.0

PHYSICAL PROPERTIES

Refractive index at 20 C

-

1.4240

Specific gravity

-

1.020

Specific gravity temperature

o

Vapor density

air=1

4.14

Vapor pressure

kPa

0.024

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

0.02

Evaporation rate

ether=1

628.0

o

C

20

C

25

46.80

Enthalpy of vaporization

kJ mol

Enthalpy of vaporization temperature

K

Corrosivity

-

Molar volume

cm mol

Kauri butanol number

-

25.06

Coefficients of Antoine equation

coefficient A

4.81869

-1

bp N 3

-1

118.2

coefficient B

1946.184

coefficient C

-62.374

Temperature range of Antoine equation

K

385.4 to 466.0

Viscosity

mPas (cP)

3.48

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

505

Diethylene glycol monomethyl ether PARAMETER

UNIT

VALUE

Viscosity temperature

o

Surface tension at 20 C

mN m-1

34.80

Solubility in water at 20 C

mg kg

infinite

Heat of combustion at 25oC

MJ kg-1

Specific heat at 25 C

kJ K mol

Hildebrand solubility parameter

(MPa)

Hansen solubility parameters, (MPa)1/2

dD

16.2

dP

7.8

o

o

o

Henry’s law constant

C

25 -1

-1

25.06 -1

1/2

271.12 17.39

dH

12.6

atm/m3-mol-1

6.50E-10

Flammability

1

Health

1

Reactivity

0

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R63

US safety phrases, S

S2,S36/37

Autoignition temperature

o

C

Flash point

o

C

96.0

Explosion limit, lower

wt%

1.38

Explosion limit, upper

wt%

215

22.70

Animal testing, acute toxicity, Rat oral LD50

-1

mg kg

5,500

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

6,540

Route of entry

Ing, Inh, Con

Skin irritation

May cause skin irritation

Eye irritation

May cause eye irritation

Target organs

CNS,Kdny,Spleen,Testes

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

Mutagenic properties

N

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

0.12

Chemical oxygen demand

gg

-1

1.71

Theoretical oxygen demand

gg

-1

Bioconcentration factor

-

-1.10

Biodegradation probability

-

days-weeks

1.73

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

506

Diethylene glycol monomethyl ether PARAMETER

UNIT

VALUE

Hydroxyl rate constant

cm3 molecule-1 s-1

2.44E-11

Montreal protocol

-

N

Partition coefficient

logKow

-1.18

Urban ozone formation potential

C2H4=1

0.34

Soil absorption constant

-

-1.30

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

507

Diethylene glycol n-hexyl ether PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Diethylene glycol n-hexyl ether

CAS #

-

112-59-4

IUPAC name

2-(2-hexoxyethoxy)ethanol

Empirical formula

-

Formula

C10H22O3

HOCH2CH2OCH2CH2O(CH2)3CH3

Molecular mass

daltons

190.28

RTECS number

-

KL2625000

Chemical category

-

glycol ether

Mixture

-

N

EC number

-

203-988-3

State

-

L

Color

-

colorless

Boiling point

o

C

261.0

Freezing point

o

C

-33.0

PHYSICAL PROPERTIES

Refractive index at 20 C

-

o

1.4380

Specific gravity

-

Specific gravity temperature

o

0.936

Vapor pressure

kPa

Vapor pressure temperature

o

Corrosivity

-

C

20 0.0013

C

20 N

Molar volume

cm mol

Viscosity

mPas (cP)

Viscosity temperature

o

3

-1

C

204.3 8.5 25

Surface tension at 20 C

mN m

-1

29.80

Heat of combustion at 25oC

MJ kg-1

33.00

dD

16.0

dP

6.0

dH

10.0

Flammability

1

Health

2

Reactivity

1

o

Hansen solubility parameters, (MPa)

1/2

HEALTH & SAFETY HMIS classification

UN risk phrases, R

R21,R41

US safety phrases, S

S2,S36/37,S46

DOT class

not regulated

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

508

Diethylene glycol n-hexyl ether PARAMETER

UNIT

Autoignition temperature

o

C

Flash point

o

C

Animal testing, acute toxicity, Rat oral LD50

mg kg

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

VALUE 305 126.7

-1

4920

ECOLOGICAL PROPERTIES Biodegradation probability

-

28-days

Montreal protocol

-

N

Partition coefficient

logKow

1.70

USE & PERFORMANCE Manufacturer

Alfa Aesar, Dow Chemical, Parchem, TCI America

Recommended for products

High-boiling solvent in coatings

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

509

Diethylene glycol monophenyl ether PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Diethylene glycol monophenyl ether

CAS #

-

104-68-7

IUPAC name

2-(2-phenoxyethoxy)ethanol

Common name

phenyl carbitol

Common synonym

phenoxydiglycol

Empirical formula

-

C10H14O3

Formula

O

O

Molecular mass

daltons

182.219

Chemical category

-

glycol ether

EC number

-

203-227-5

Product contents

>98 wt%

O

H

PHYSICAL PROPERTIES State

-

L

Odor

-

mild

Color

-

colorless

Boiling point

o

C

275-280

Freezing point

o

C

-25

Refractive index at 20 C

-

1.523-1.527

Specific gravity

-

1.112-1.118

Specific gravity temperature

o

o

C

20

Viscosity

mPas (cP)

Viscosity temperature

o

Surface tension at 20oC

mN m-1

43.79

Solubility in water at 20 C

mg kg

40,000

Heat of combustion at 25oC

MJ kg-1

27.4

dD

16.4

dP

6.7

dH

11.6

-

11.13

o

Hansen solubility parameters, (MPa)

1/2

Relative permittivity

C

30 25

-1

HEALTH & SAFETY Flash point

o

C

138

Flash point method

-

Animal testing, acute toxicity, Rat oral LD50

mg kg

Skin irritation

Prolonged skin contact is not likely to cause significant

SFCC -1

2,140

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

510

Diethylene glycol monophenyl ether PARAMETER

UNIT

VALUE

Eye irritation

Eye contact with diethylene glycol phenyl ether may cause moderate irritation with moderate corneal injury. Effects may be slow to heal. Diethylene glycol phenyl ether may cause permanent impairment of vision.

Inhalation

Vapor from heated material or mist may be hazardous on single exposure.

First aid: eyes

Small amounts swallowed incidental to normal handling are not likely to cause injury

USE & PERFORMANCE Manufacturer

-

DOW

Recommended for polymers

nitrocellulose, cellulose acetate, ethyl cellulose, and many vinyl, phenolic, alkyd, and ester-type resins

Recommended for products

coalescent, paints, coatings, inks, metalworking fluids, adhesives, paint remover

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

511

Ethylene glycol dibutyl ether PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Ethylene glycol dibutyl ether

CAS #

-

112-48-1

IUPAC name

1-(2-butoxyethoxy)butane

Common name

di-n-butoxyethane

Common synonym

dibutyl cellosolve

Acronym

-

EGDBE

Empirical formula

-

C10H22O2

Formula

CH3(CH2)3OCH2CH2O(CH2)3CH3

Molecular mass

daltons

174.32

RTECS number

-

KH9450000

Chemical category

-

glycol ether

Mixture

-

N

EC number

-

203-976-8

Product contents

ethylene glycol dibutyl ether >98 wt%

PHYSICAL PROPERTIES State

-

L

Odor

-

characteristic

Color

-

colorless

Boiling point

o

C

Freezing point

o

C

Refractive index at 20oC

-

1.4110

Specific gravity

-

0.832

Specific gravity temperature

o

Vapor density

air=1

6.01

Vapor pressure

kPa

1.33

Vapor pressure temperature

o

Enthalpy of vaporization

kJ mol-1

58.74

Enthalpy of vaporization temperature

K

298.2

Corrosivity

-

N

Molar volume

cm3 mol-1

209.5

Viscosity

mPas (cP)

Viscosity temperature

o

Heat of combustion at 25oC

MJ kg-1

Specific heat at 25 C

kJ K mol

Hildebrand solubility parameter

(MPa)1/2

o

203.3 -69.1

C

25

C

84.0

C

14.04 25

-1

37.21 -1

34.31 16.77

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

512

Ethylene glycol dibutyl ether PARAMETER

UNIT

VALUE

Hansen solubility parameters, (MPa)1/2

dD

15.7

dP

4.5

Henry’s law constant

dH

4.2

atm/m3-mol-1

7.33E-05

Flammability

2

Health

1

Reactivity

0

HEALTH & SAFETY NFPA classification

C

85

Flash point

o

Flash point method

-

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

3,250

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

3,560

Route of entry

Ing, Con

Ingestion

May be harmful if swallowed

Skin irritation

Causes mild skin irritation

Eye irritation

Causes eye irritation

Inhalation

May cause respiratory tract irritation.

First aid: eyes

Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.

First aid: skin

Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.

First aid: inhalation

Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

OC -1

ECOLOGICAL PROPERTIES Theoretical oxygen demand

g g-1

1.65

Bioconcentration factor

-

2.09

Biodegradation probability

-

days

Hydroxyl rate constant

cm3 molecule-1 s-1

3.86E-11

Montreal protocol

-

N

Partition coefficient

logKow

2.48

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

513

Ethylene glycol dibutyl ether PARAMETER

UNIT

VALUE

Urban ozone formation potential

C2H4=1

0.44

Soil absorption constant

-

1.24

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

514

Ethylene glycol diethyl ether PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Ethylene glycol diethyl ether

CAS #

-

629-14-1

IUPAC name

1,2-diethoxyethane

Common name

ethyl glyme

Common synonym

3,6-dioxaoctane

Acronym

-

EGDEE

Empirical formula

-

C6H14O2

Formula

CH3CH2OCH2CH2OCH2CH3

Molecular mass

daltons

118.2

RTECS number

-

KI1225000

Chemical category

-

glycol ether

Mixture

-

N

EC number

-

211-076-1

Product contents

ethylene glycol diethyl ether 99 wt%

PHYSICAL PROPERTIES State

-

L

Odor

-

ethereal

Color

-

colorless

Boiling point

o

C

121.2

Freezing point

o

C

-74.0

Refractive index at 20 C

-

1.3900

Specific gravity

-

0.835

Specific gravity temperature

o

Vapor density

air=1

4.08

Vapor pressure

kPa

1.253

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

1.05

Enthalpy of vaporization

kJ mol-1

36.28

Enthalpy of vaporization temperature

K

392.5

Corrosivity

-

Molar volume

cm mol

Coefficients of Antoine equation

coefficient A

3.67171

coefficient B

1270.934

coefficient C

-45.586

K

239.6 to 392.6

o

Temperature range of Antoine equation

C

25

C

20

N 3

-1

141.6

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

515

Ethylene glycol diethyl ether PARAMETER

UNIT

Viscosity

mPas (cP)

Viscosity temperature

o

Heat of combustion at 25oC

MJ kg-1

32.75

Specific heat at 25oC

kJ K-1 mol-1

259.41

Hildebrand solubility parameter

(MPa)

16.98

Hansen solubility parameters, (MPa)

1/2

VALUE 0.7

C

20

1/2

dD

15.4

dP

5.4

dH

5.2

Henry’s law constant

atm/m -mol

Relative permittivity

-

5.10

Flammability

3

Health

1

Reactivity

0

3

-1

2.36E-05

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R10,R36

US safety phrases, S

S24,S26

UN number

-

1153

UN/NA hazard class

3

UN packaging group

II

DOT class

3, II

ICAO/IATA class, packaging group

UN 1153 ETHYLENE GLYCOL DIETHYL ETHER, 3, III

IMDG class, packaging group

UN 1153 ETHYLENE GLYCOL DIETHYL ETHER, 3, III

Proper shipping name

ethylene glycol diethyl ether

Autoignition temperature

o

C

208

Flash point

o

C

35

Flash point method

-

Animal testing, acute toxicity, Rat oral LD50

mg kg

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

CC -1

4,390 8,000/4H

Route of entry

Inh, Ing, Con

Target organs

CNS,Kdny,Lvr,Brain,Testes

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

Mutagenic properties

Y

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

516

Ethylene glycol diethyl ether PARAMETER

UNIT

VALUE

Theoretical oxygen demand

g g-1

2.31

Bioconcentration factor

-

0.48

Biodegradation probability

-

days-weeks

Hydroxyl rate constant

cm3 molecule-1 s-1

2.47E-11

Montreal protocol

-

N

ECOLOGICAL PROPERTIES

Partition coefficient

logKow

0.66

Urban ozone formation potential

C2H4=1

0.58

Soil absorption constant

-

0.18

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

517

Ethylene glycol hexyl ether PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Ethylene glycol hexyl ether

CAS #

-

112-25-4

IUPAC name

2-hexoxyethanol

Common name

n-hexyl cellosolve

Common synonym

2-n-(hexyloxy) ethanol

Empirical formula

-

C8H18O2

Formula

CH3(CH2)5OCH2CH2OH

Molecular mass

daltons

146.26

RTECS number

-

KL2450000

Chemical category

-

glycol ether

Mixture

-

N

EC number

-

203-951-1

Product contents

ethylene glycol hexyl ether >98 wt%

PHYSICAL PROPERTIES State

-

L

Color

-

colorless

Boiling point

o

C

208.0

Freezing point

o

C

-14.0

Refractive index at 20 C

-

1.4290

Specific gravity

-

0.887

Specific gravity temperature

o

Vapor density

air=1

Corrosivity

-

o

C

25 5.04 N

Molar volume

cm mol

Heat of combustion at 25oC

MJ kg-1

35.41

Surface tension at 20 C

mN m

35.41

3

o

Hansen solubility parameters, (MPa)

1/2

-1

-1

164.5

dD

16.0

dP

5.0

dH

11.4

Flammability

1

Health

2

Reactivity

1

HEALTH & SAFETY HMIS classification

UN risk phrases, R

R21/22,R34

US safety phrases, S

S1/2,S26,S36/37/39,S45

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

518

Ethylene glycol hexyl ether PARAMETER

UNIT

VALUE 2810

UN number

-

UN/NA hazard class

6.1

UN packaging group

III

DOT class

6.1, III

Proper shipping name

toxic liquid, organic, n.o.s.

Flash point

o

Flash point method

-

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

830

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

890

Route of entry

Ing, Inh

Ingestion

Harmful if swallowed

Skin irritation

Causes skin irritation

Eye irritation

Causes eye irritation

First aid: eyes

Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.

First aid: skin

Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.

First aid: inhalation

Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

C

90 OC -1

ECOLOGICAL PROPERTIES Montreal protocol

-

N

Partition coefficient

logKow

1.86

USE & PERFORMANCE Manufacturer

BASF AG, Dow

Recommended for products

Printing inks, silk screen printing inks, latex-based coatings

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

519

Ethylene glycol monobenzyl ether PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Ethylene glycol monobenzyl ether

CAS #

-

622-08-2

IUPAC name

2-phenylmethoxyethanol

Common name

benzyl cellosolve

Common synonym

2-benzyloxy-1-ethanol

Empirical formula

-

C9H12O2

Formula CH2OCH2CH2OH

Molecular mass

daltons

152.21

RTECS number

-

KJ5500000

Chemical category

-

glycol ether

Mixture

-

N

EC number

-

210-719-3

Product contents

ethylene glycol monobenzyl ether >98 wt%

PHYSICAL PROPERTIES State

-

L

Odor

-

rose-like

Color

-

colorless

Boiling point

o

C

265.0

Freezing point

o

C

-75.0

Refractive index at 20 C

-

o

1.5210

Specific gravity

-

Specific gravity temperature

o

1.070

Vapor density

air=1

5.25

Vapor pressure

kPa

0.00266

Vapor pressure temperature

o

Corrosivity

-

C

20

C

20 N

Molar volume

cm mol

Solubility in water at 20oC

mg kg-1

Heat of combustion at 25 C

MJ kg

Hansen solubility parameters, (MPa)1/2

dD

17.8

dP

5.9

dH

12.2

atm/m3-mol-1

3.38E-09

3

o

Henry’s law constant

-1

-1

143.0 4,000 34.45

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

520

Ethylene glycol monobenzyl ether PARAMETER

UNIT

VALUE

Flammability

1

Health

2

Reactivity

0

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R22,R36/37/38

US safety phrases, S

S26,S37/39

UN/NA hazard class

not regulated

DOT class

not regulated

Autoignition temperature

o

C

352

Flash point

o

C

129

Flash point method

-

OC 1190

Animal testing, acute toxicity, Rat oral LD50

mg kg

Route of entry

Inh, Ing, Eye, Skin

Ingestion

Harmful if swallowed

Skin irritation

Causes mild skin irritation

Eye irritation

Causes serious eye damage

Inhalation

May cause respiratory tract irritation.

First aid: eyes

Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

-1

ECOLOGICAL PROPERTIES Theoretical oxygen demand

g g-1

1.68

Bioconcentration factor

-

0.37

Biodegradation probability

-

days-weeks

Hydroxyl rate constant

cm3 molecule-1 s-1

2.05E-11

Montreal protocol

-

N

Partition coefficient

logKow

0.80

Urban ozone formation potential

C2H4=1

0.36

Soil absorption constant

-

0.73

USE & PERFORMANCE Manufacturer

Sigma-Aldrich, TCI America

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

521

Ethylene glycol monophenyl ether PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Ethylene glycol monophenyl ether

CAS #

-

IUPAC name

2-phenoxyethanol

Common name

phenyl cellosolve

Empirical formula

-

122-99-6

C8H10O2

Formula

OCH2CH2OH Molecular mass

daltons

138.18

RTECS number

-

KM0350000

Chemical category

-

glycol ether

Mixture

-

N

EC number

-

204-589-7

Product contents

ethylene glycol monophenyl ether >=90%

PHYSICAL PROPERTIES State

-

L

Odor

-

rose-like

Color

-

colorless

Boiling point

o

C

245.2

Freezing point

o

C

13.00

Refractive index at 20 C o

-

1.5340

Specific gravity

-

Specific gravity temperature

o

Vapor density

air=1

4.77

Vapor pressure

kPa

0.004

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

0.001

Enthalpy of vaporization

kJ mol-1

52.13

Enthalpy of vaporization temperature

K

bp

Corrosivity

-

N

Molar volume

cm3 mol-1

124.7

Coefficients of Antoine equation

coefficient A

5.1371

C

C

1.110 20

20

coefficient B

2379.346

coefficient C

-54.424

Temperature range of Antoine equation

K

351.0 to 518.4

Viscosity

mPas (cP)

41

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

522

Ethylene glycol monophenyl ether PARAMETER

UNIT

VALUE

Viscosity temperature

o

Surface tension at 20 C

mN m-1

42.00

Solubility in water at 20 C

mg kg

traces

Heat of combustion at 25oC

MJ kg-1

Specific heat at 25 C

kJ K mol

o

o

o

Hansen solubility parameters, (MPa)

C

20 -1

-1

1/2

33.22 300.66

-1

dD

17.8

dP

5.7

dH Henry’s law constant

14.3

atm/m -mol 3

-1

1.55E-08

HEALTH & SAFETY NFPA classification

UN risk phrases, R

Flammability

1

Health

0

Reactivity

0

R22,R36

US safety phrases, S

S2,S26

UN/NA hazard class

not regulated

DOT class

not regulated

Autoignition temperature

o

C

535

Flash point

o

C

121

Flash point method

-

CC

Explosion limit, lower

wt%

1.40

Explosion limit, upper

wt%

9.00

Animal testing, acute toxicity, Rat oral LD50

-1

mg kg

1,260

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

5,000

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

sat/4H

Route of entry

Inh, Ing, Con

Skin irritation

Excessive exposure may cause skin irritation

Eye irritation

May cause moderate eye irritation

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

Mutagenic properties

Y

ECOLOGICAL PROPERTIES Theoretical oxygen demand

g g-1

1.62

Bioconcentration factor

-

0.65

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

523

Ethylene glycol monophenyl ether PARAMETER

UNIT

VALUE

Biodegradation probability

-

days-weeks

Hydroxyl rate constant

cm3 molecule-1 s-1

3.32E-11

Montreal protocol

-

N

Partition coefficient

logKow

1.16

Urban ozone formation potential

C2H4=1

0.29

Soil absorption constant

-

1.08

USE & PERFORMANCE Recommended for products

Industrial coatings, printing inks, paint removers, cosmetic ingredient, perfume fixative

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

524

Ethylene glycol monopropyl ether PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Ethylene glycol monopropyl ether

CAS #

-

2807-30-9

IUPAC name

2-propoxyethanol

Common name

propylglycol

Common synonym

propyl cellosolve

Empirical formula

-

Formula

C5H12O2

HOCH2CH2OCH2CH2CH3

Molecular mass

daltons

104.15

RTECS number

-

KM2800000

Chemical category

-

glycol ether

Mixture

-

N

EC number

-

220-548-6

Product contents

ethylene glycol monopropyl ether >99 wt%

PHYSICAL PROPERTIES State

-

L

Color

-

colorless

Boiling point

o

C

Freezing point

o

C

Refractive index at 20oC

-

1.4130

Specific gravity

-

0.910

Specific gravity temperature

o

Vapor density

air=1

3.60

Vapor pressure

kPa

0.2

Vapor pressure temperature

o

C

20

Enthalpy of vaporization

kJ mol-1

41.40

Enthalpy of vaporization temperature

K

422.9

Corrosivity

-

N

Molar volume

cm3 mol-1

115.0

Coefficients of Antoine equation

coefficient A

4.37505

coefficient B

1504.961

coefficient C

-78.744

Temperature range of Antoine equation

K

350.2 to 421.8

Viscosity

mPas (cP)

3.03

Viscosity temperature

o

Solubility in water at 20 C o

149.5 -90.0

C

20

C

mg kg

25 -1

very good

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

525

Ethylene glycol monopropyl ether PARAMETER

UNIT

VALUE

Heat of combustion at 25oC

MJ kg-1

30.88

Coefficient of thermal expansion

10-4 oC-1 (K-1)

11.00

Hansen solubility parameters, (MPa)1/2

dD

16.1

dP

8.7

dH

13.5

HEALTH & SAFETY UN risk phrases, R

R21,R36

US safety phrases, S

S2,S26,S36/37,S45

UN number

-

UN/NA hazard class

3

UN packaging group

III

1986

DOT class

3, III

Proper shipping name

alcohols, flammable, toxic, n.o.s.

Autoignition temperature

o

C

Flash point

o

C

Flash point method

-

CC

Explosion limit, lower

wt%

5.50

Explosion limit, upper

wt%

23.00

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

3,089

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

960

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

2,000/4H

Route of entry

Eye, Skin

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

230 51

ECOLOGICAL PROPERTIES Montreal protocol

-

N

Partition coefficient

logKow

0.08

USE & PERFORMANCE Manufacturer

Eastman Chemical Company, SigmaAldrich

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

526

Propylene glycol monobutyl ether PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Propylene glycol monobutyl ether

CAS #

-

29387-86-8

IUPAC name

1-butoxypropan-1-ol

Common name

2-propanol, 1-butoxy

Acronym

-

PGnBE

Empirical formula

-

C7H16O2

Formula

CH3(CH2)3OCHCH2OH CH3

Molecular mass

daltons

132.2

Chemical category

-

glycol ether

Mixture

-

Y

EC number

-

249-598-7

-

L

PHYSICAL PROPERTIES State Odor

-

mild

Color

-

colorless

Boiling point

o

C

170.2

Freezing point

o

C

-75.0

Refractive index at 20 C

-

o

1.4180

Specific gravity

-

Specific gravity temperature

o

0.879

Vapor pressure

kPa

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

0.07

Evaporation rate

ether=1

156.0

C

20 0.113

C

20

Molar volume

cm mol

Viscosity

mPas (cP)

Viscosity temperature

o

Surface tension at 20 C

mN m

Solubility in water at 20oC

mg kg-1

64,000

dD

15.3

dP

4.5

dH

9.2

3

o

Hansen solubility parameters, (MPa)

1/2

C

-1

132.0 3.63 20

-1

27.60

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

527

Propylene glycol monobutyl ether PARAMETER

UNIT

VALUE

HEALTH & SAFETY UN risk phrases, R

R36/38

UN number

-

3271

UN/NA hazard class

3

UN packaging group

III

Autoignition temperature

o

C

Flash point

o

C

Flash point method

-

PMCC

Explosion limit, lower

wt%

1.10

Explosion limit, upper

wt%

Animal testing, acute toxicity, Rat oral LD50

260 63

8.40 -1

mg kg

3,300

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

-1

3,100

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

Skin irritation

Causes skin irritation.

Eye irritation

Causes severe eye irritation.

Inhalation

May cause respiratory tract irritation.

First aid: eyes

Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.

First aid: skin

Wash off with soap and plenty of water. Consult a physician.

First aid: inhalation

Move person into fresh air. If not breathing, give artificial respiration. Consult a physician.

650/4H

ECOLOGICAL PROPERTIES Aquatic toxicity, Daphnia magna, 48-h LC50

mg l-1

1,000

Partition coefficient

logKow

0.98

USE & PERFORMANCE Recommended for products

In printing inks, thinners, co-solvents in water-based paints and in other applications in which partially water-soluble solvents are used

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

528

Propylene glycol monoethyl ether PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Propylene glycol monoethyl ether

CAS #

-

52125-53-8

IUPAC name

1-ethoxypropan-1-ol

Common name

ethoxypropanol

Common synonym

propylene glycol ethyl ether

Acronym

-

PGEE

Empirical formula

-

C5H12O2

Formula

HO(CH2)3OCH2CH3

Molecular mass

daltons

104.15

Chemical category

-

glycol ether

Mixture

-

M

Moisture content

wt%

0.1

State

-

L

Color

-

colorless

Boiling point

o

Refractive index at 20oC

-

1.4050

Specific gravity

-

0.890

Specific gravity temperature

o

Vapor pressure

kPa

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

0.54

Molar volume

cm3 mol-1

115.6

Viscosity

mPas (cP)

Viscosity temperature

o

Surface tension at 20oC

mN m-1

Hildebrand solubility parameter

(MPa)

Hansen solubility parameters, (MPa)1/2

dD

15.7

dP

6.5

dH

10.5

Flammability

3

Health

1

Reactivity

0

PHYSICAL PROPERTIES

C

148.0

C

20 0.5866

C

20

C

1.8 25

1/2

29.70 10.50

HEALTH & SAFETY NFPA classification

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

529

Propylene glycol monoethyl ether PARAMETER

UNIT

VALUE

HMIS classification

Flammability

3

Health

2

Reactivity

0

UN number

-

3271

UN/NA hazard class

3

UN packaging group

III

DOT class

3, III

Proper shipping name

ethers, n.o.s. (propylene glycol ethyl ether)

Flash point

o

Flash point method

-

Seta

Explosion limit, lower

wt%

1.30

Explosion limit, upper

wt%

12.00

Route of entry

Inh, Skin, Eye

Skin irritation

May cause mild skin irritation.

Eye irritation

Cause severe but reversible eye irritation.

Inhalation

May cause mild respiratory tract irritation.

C

35.0

ECOLOGICAL PROPERTIES Partition coefficient

logKow

0.0

USE & PERFORMANCE Recommended for products

Coatings, cleaners, agriculture, inks, textiles, and adhesives.

Features & benefits

It has excellent solvating capability

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

530

Propylene glycol monoisobutyl ether PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Propylene glycol monoisobutyl ether

CAS #

-

23436-19-3

IUPAC name

1-(2-methylpropoxy)propan-2-ol

Common name

2-propanol, 1-isobutoxy-

Common synonym

1-isobutoxypropan-2-ol

Empirical formula

-

C7H16O2

Formula

CH3CHCH2OCH2CHCH3 CH3

OH

Molecular mass

daltons

132.01

RTECS number

-

UB6795000

Chemical category

-

glycol ether

EC number

-

245-663-9

PHYSICAL PROPERTIES State

-

L

Color

-

colorless

Boiling point

o

C

165.0

Vapor pressure

kPa

0.1733

Vapor pressure temperature

o

Molar volume

cm mol

Solubility in water at 20oC

mg kg-1

48,700

dD

15.1

dP

4.7

Hansen solubility parameters, (MPa)

C

25 3

1/2

132.2

-1

dH Henry’s law constant

9.8

atm/m -mol 3

-1

1.30E-07

HEALTH & SAFETY Animal testing, acute toxicity, Rat oral LD50

mg kg-1

4,290

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

8,000

-1

ECOLOGICAL PROPERTIES Hydroxyl rate constant

cm3 molecule-1 s-1

2.98E-11

Partition coefficient

logKow

0.91

USE & PERFORMANCE Recommended for products

printing, cleaning, paints, metal forming, cosmetics

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

531

Tetraethylene glycol dimethyl ether PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Tetraethylene glycol dimethyl ether

CAS #

-

IUPAC name

1-(2-methoxyethoxy)-2-[2-(2-methoxyethoxy)ethoxy]ethane

Empirical formula

-

143-24-8

C10H22O5

Formula

H3C OCH2CH2

4

OCH3

Molecular mass

daltons

222.28

Chemical category

-

glycol ether

Mixture

-

N

EC number

-

205-594-7

Moisture content

wt%

0.2

Product contents

purity 99%

PHYSICAL PROPERTIES State

-

L

Odor

-

very faint

Color

colorless to pale yellow

Boiling point

o

C

Freezing point

o

C

Refractive index at 20oC

-

1.4300

Specific gravity

-

1.010

Specific gravity temperature

o

Molar volume

cm3 mol-1

219.4

mg kg

infinite

Solubility in water at 20 C o

Hansen solubility parameters, (MPa)

1/2

275.0 -30.0

C

20 -1

dD

16.0

dP

6.3

dH

8.1

HEALTH & SAFETY Flash point

o

C

Animal testing, acute toxicity, Rat oral LD50

mg kg

195 -1

5,140

USE & PERFORMANCE Outstanding properties

aprotic solvent

Recommended for products

reaction and polymerization solvent, catalyst solubilizer, electrolyte systems (lowering viscosity), acid gas extraction and absorption

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

532

Triethylene glycol butyl ether PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Triethylene glycol butyl ether

CAS #

-

143-22-6

IUPAC name

2-[2-(2-butoxyethoxy)ethoxy]ethanol

Common name

butoxytriglycol

Acronym

-

TBH

Empirical formula

-

C10H22O4

Formula

HOCH2CH2OCH2CH2OCH2CH2O(CH2)3CH3

Molecular mass

daltons

206.28

RTECS number

-

KJ9450000

Chemical category

-

glycol ether

Mixture

-

N

EC number

-

205-592-6

State

-

L

Color

-

colorless

Boiling point

o

C

278.0

Freezing point

o

C

-35.0

PHYSICAL PROPERTIES

Refractive index at 20 C

-

1.4390

Specific gravity

-

0.989

Specific gravity temperature

o

Vapor density

air=1

7.00

Vapor pressure

kPa

0.00133

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

0.01

Corrosivity

-

N

Molar volume

cm mol

Viscosity

mPas (cP)

Viscosity temperature

o

Surface tension at 20oC

mN m-1

30.0

Solubility in water at 20 C

mg kg

miscible

Heat of combustion at 25oC

MJ kg-1

29.58

dD

16.1

dP

6.1

dH

10.7

o

C

20

C

20

3

o

Hansen solubility parameters, (MPa)

1/2

C

-1

207.6 9.2 25

-1

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

533

Triethylene glycol butyl ether PARAMETER

UNIT

VALUE

HEALTH & SAFETY Flash point

o

C

Flash point method

-

131 SCC

Animal testing, acute toxicity, Rat oral LD50

mg kg

-1

6,730

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

3,540

Montreal protocol

-

N

Partition coefficient

logKow

0.02

ECOLOGICAL PROPERTIES

USE & PERFORMANCE Recommended for products

solvent-based coatings, chemical process solvent, ester production

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

534

Triethylene glycol monoethyl ether PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Triethylene glycol monoethyl ether

CAS #

-

112-50-5

IUPAC name

2-[2-(2-ethoxyethoxy)ethoxy]ethanol

Common name

ethoxytriglycol

Common synonym

ethoxytriethylene glycol

Empirical formula

-

C8H18O4

Formula

O

O

O

Molecular mass

daltons

178.23

RTECS number

-

KK8950000

Chemical category

-

glycol ether

Mixture

-

N

EC number

-

203-978-9

O

H

PHYSICAL PROPERTIES State

-

L

Odor

-

odorless

Color

-

colorless

Boiling point

o

C

256

Freezing point

o

C

-19

Refractive index at 20 C

-

1.436

Specific gravity

-

1.02

Specific gravity temperature

o

Vapor density

air=1

6.2

Vapor pressure

kPa

0.001

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

0.01

Corrosivity

-

N

Molar volume

cm mol

Viscosity

mPas (cP)

Viscosity temperature

o

Surface tension at 20oC

mN m-1

30.0

Solubility in water at 20oC

mg kg-1

infinite

Heat of combustion at 25 C

MJ kg

29.6

o

C

20

C

25

3

o

Hansen solubility parameters, (MPa)

1/2

C

-1

173.3 7.8 20

-1

dD

16.1

dP

7.0

dH

12.3

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

535

Triethylene glycol monoethyl ether PARAMETER

UNIT

VALUE

HEALTH & SAFETY Autoignition temperature

o

C

202

Flash point

o

C

129-135

Flash point method

-

OC

Explosion limit, lower

wt%

1.0

Explosion limit, upper

wt%

6.5

Animal testing, acute toxicity, Rat oral LD50

mg kg

10,600

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

8,000

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

-1

ECOLOGICAL PROPERTIES Aquatic toxicity, Daphnia magna, 48-h LC50

mg l-1

>10,000

Aquatic toxicity Fathead minnow, 96-h LC50

mg l

>10,000

Montreal protocol

-

N

Partition coefficient

logKow

-2.79 to -0.96

-1

USE & PERFORMANCE Recommended for products

solvent-based coatings, chemical process solvent, ester production

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

536

Triethylene glycol monomethyl ether PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Triethylene glycol monomethyl ether

CAS #

-

112-35-6

IUPAC name

2-[2-(2-methoxyethoxy)ethoxy]ethanol

Common name

methyl triglycol

Common synonym

methoxytriglycol

Acronym

-

TGME

Empirical formula

-

C7H16O4

Formula

H

O

O

O

Molecular mass

daltons

164.2

RTECS number

-

KL6390000

Chemical category

-

glycol ethers

Mixture

-

N

EC number

-

203-962-1

State

-

L

Color

-

colorless

Boiling point

o

C

Freezing point

o

C

Refractive index at 20oC

-

1.4381

Specific gravity

-

1.026-1.05

Specific gravity temperature

o

Vapor density

air=1

5.7

Vapor pressure

kPa

0.01333

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

0.01

Molar volume

cm3 mol-1

160.0

Viscosity

mPas (cP)

Viscosity temperature

o

Surface tension at 20oC

mN m-1

36.4, 25% aq solution 53.1

Solubility in water at 20oC

mg kg-1

miscible

dD

16.2

dP

7.6

dH

12.5

O

PHYSICAL PROPERTIES

Hansen solubility parameters, (MPa)

1/2

C

C

C

246-250 -44

20

20

7.8 20

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

537

Triethylene glycol monomethyl ether PARAMETER

UNIT

VALUE

HEALTH & SAFETY Autoignition temperature

o

C

Flash point

o

210

C

Animal testing, acute toxicity, Rat oral LD50

mg kg

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

7,100

Aquatic toxicity, Daphnia magna, 48-h LC50

mg l-1

10,000

Aquatic toxicity Fathead minnow, 96-h LC50

mg l

10,000

Montreal protocol

-

N

Partition coefficient

logKow

-1.46 to -0.55

Manufacturer

-

Clariant, Dow

Recommended for products

chemical process solvent, intermediate for making esters as solvent, hard surface cleaners, paint or floor polish strippers, used and jet fuel additive (icing inhibitor)

114-125 -1

11,300-11,800

ECOLOGICAL PROPERTIES -1

USE & PERFORMANCE

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

538

Tripropylene glycol monomethyl ether PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Tripropylene glycol monomethyl ether

CAS #

-

IUPAC name

1-[1-(1-methoxypropan-2-yloxy)propan2-yloxy]propan-2-ol

Common name

2-propanol, 1-(2-(2-methoxy1-methylethoxy)-1-methylethoxy)-

Empirical formula

-

Formula

20324-33-8

C10H22O4

HOCHCH2OCHCH2OCHCH2OCH3 CH3

CH3

CH3

Molecular mass

daltons

206.28

Chemical category

-

glycol ether

EC number

-

243-734-9

State

-

L

Odor

-

mild

Boiling point

o

Specific gravity

-

Molar volume

cm mol

PHYSICAL PROPERTIES

C

250.0 0.976 3

214.0

-1

Solubility in water at 20 C

mg kg

Hansen solubility parameters, (MPa)1/2

dD

15.3

dP

5.5

o

infinite

-1

dH Henry’s law constant

10.4

atm/m -mol 3

-1

2.36E-11

HEALTH & SAFETY Animal testing, acute toxicity, Rat oral LD50

mg kg-1

3,300

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

16,000

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

30/8H

Hydroxyl rate constant

cm3 molecule-1 s-1

6.00E-11

Partition coefficient

logKow

-0.20

ECOLOGICAL PROPERTIES

USE & PERFORMANCE Recommended for products

coatings, adhesive remover, pesticides, hairstyling products

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

539

3.12 Halogenated Carbon tetrachloride PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Carbon tetrachloride

CAS #

-

56-23-5

IUPAC name

tetrachloromethane

Common name

tetrachlorocarbon

Empirical formula

-

CCl4

Formula

CCl4

Molecular mass

daltons

153.81

RTECS number

-

FG4900000

Chemical category

-

halogenated

Mixture

-

N

EC number

-

200-262-8

PHYSICAL PROPERTIES State

-

L

Odor

-

ether-like

Odor threshold

ppm

50.0

Color

-

colorless

Boiling point

o

C

76.7

Freezing point

o

C

-23.0

Refractive index at 20 C

-

1.4570

Specific gravity

-

1.594

Specific gravity temperature

o

Vapor density

air=1

5.30

Vapor pressure

kPa

12.17

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

12.80

Enthalpy of vaporization

kJ mol-1

29.82

Enthalpy of vaporization temperature

K

349.9

Acceptor number

-

Donor number

o

C

25

C

20

8.6

kcal mol

-1

0.0

Polarity parameter, ET(30)

kcal mol

-1

32.4

Molar volume

cm3 mol-1

97.1

Kauri butanol number

-

104

Coefficients of Antoine equation

coefficient A

4.02291

coefficient B

1221.781

coefficient C

-45.739

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

540

3.12 Halogenated Carbon tetrachloride PARAMETER

UNIT

VALUE

Temperature range of Antoine equation

K

293.0 to 350.9

Viscosity

mPas (cP)

1.049

Viscosity temperature

o

Surface tension at 20oC

mN m-1

Solubility in water at 20 C

mg kg

Specific heat at 25 C

kJ K mol

Thermal conductivity at 25oC

W m-1 K-1

Coefficient of thermal expansion

10

Hildebrand solubility parameter

(MPa)

Hansen solubility parameters, (MPa)1/2

dD

17.8

dP

0.0

o

o

C

20

-1

-4 o

26.92 793.4

-1 -1

0.1170

C (K ) -1

131.34

-1

1/2

11.55 17.49

dH

0.6

Henry’s law constant

atm/m3-mol-1

3.04E-02

Relative permittivity

-

2.20

Flammability

1

Health

3

Reactivity

0

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R40,R23/24/25,R48/23,R52,R53,R59

US safety phrases, S

S1/2,S23,S36/37,S45,S59,S61

UN number

-

UN/NA hazard class

6.1

UN packaging group

II

DOT class

UN 1846 Carbon tetrachloride, 6.1, II

TDG class

UN 1846 Carbon tetrachloride, 6.1, II

ICAO/IATA class, packaging group

UN 1846 CARBON TETRACHLORIDE, 6.1, II

IMDG class, packaging group

UN 1846 CARBON TETRACHLORIDE, 6.1, II, Marine Pollutant: P

Proper shipping name

Carbon tetrachloride

Threshold limiting value – TWA 8h, ACGIH

mg m-3

31

Threshold limiting value – TWA 8h, ACGIH

ppm

5

Threshold limiting value – TWA 8h, OSHA

ppm

Maximum exposure concentration NIOSH-IDLH

mg m

1,900

Maximum exposure concentration NIOSH-IDLH

ppm

200

Maximum concentration, any time, ACGIH

ppm

5

Maximum concentration, any time, OSHA

ppm

25

Maximum concentration, 15 min., ACGIH

ppm

10

1846

10 -3

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

541

3.12 Halogenated Carbon tetrachloride PARAMETER

UNIT

VALUE

Maximum concentration, 15 min., NIOSH

mg m-3

12.6

Maximum concentration, 15 min., NIOSH

ppm

2

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

5,760

Animal testing, acute toxicity, Mouse oral LD50

mg kg-1

7,749

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

500/24H

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

-1

8,000/4H

Route of entry

Inh, Abs, Ing, Con

Skin irritation

Causes skin irritation

Eye irritation

Causes eye irritation

Inhalation

Hazardous in case of inhalation

First aid: eyes

Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician

First aid: skin

Wash skin with soap and water for at least 15 minutes while removing contaminated clothing and shoes. Get medical attention

First aid: inhalation

Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. Get medical aid

Target organs

CNS,Eye,Lung,Lvr,Kdny,Skin

Carcinogenicity IARC

2B

Carcinogenicity NTP

P

Carcinogenicity OSHA

N

Mutagenic properties

Y

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

0.00

Theoretical oxygen demand

gg

0.21

Aquatic toxicity, Bluegill sunfish, 96-h LC50

mg l-1

27-125

Aquatic toxicity Fathead minnow, 96-h LC50

mg l

-1

43.1

Aquatic toxicity, Rainbow trout, 96-h LC50

mg l

-1

Bioconcentration factor

-

Biodegradation probability

-

Hydroxyl rate constant

cm molecule s

-1

20.8-41.4 1.48 weeks

3

Global warming potential

-1

-1

1.20E-15 1,400

Montreal protocol

-

Y

Partition coefficient

logKow

2.44

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

542

3.12 Halogenated Carbon tetrachloride PARAMETER

UNIT

VALUE

Ozone depletion potential

CFC11=1

1.1

Urban ozone formation potential

C2H4=1

0

Soil absorption constant

-

2.35

UV absorption

nm

<220

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

543

Chlorobenzene PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Chlorobenzene

CAS #

-

108-90-7

IUPAC name

chlorobenzene

Common name

benzene chloride

Common synonym

phenyl chloride

Empirical formula

-

C6H5Cl

Formula

Cl Molecular mass

daltons

112.6

RTECS number

-

CZ0175000

Chemical category

-

halogenated

Mixture

-

N

EC number

-

203-628-5

-

L

PHYSICAL PROPERTIES State Odor

-

characteristic

Odor threshold

ppm

0.21

Color

-

colorless

Boiling point

o

C

132.0

Freezing point

o

C

-45.0

Refractive index at 20 C o

-

1.5210

Specific gravity

-

Specific gravity temperature

o

1.110

Vapor density

air=1

3.88

Vapor pressure

kPa

1.17

Vapor pressure temperature

o

C

20

C

20

Enthalpy of vaporization

kJ mol

Enthalpy of vaporization temperature

K

Acceptor number

-

Donor number

kcal mol

Polarity parameter, ET(30)

kcal mol-1

36.8

Molar volume

cm mol

102.1

Coefficients of Antoine equation

coefficient A

4.11083

coefficient B

1435.675

coefficient C

-55.124

K

335.2 to 404.9

Temperature range of Antoine equation

35.19

-1

404.9 11.9

3

-1

-1

3.3

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

544

Chlorobenzene PARAMETER

UNIT

VALUE

Viscosity

mPas (cP)

Viscosity temperature

o

Surface tension at 20oC

mN m-1

Solubility in water at 20oC

mg kg-1

Coefficient of thermal expansion

10

Hildebrand solubility parameter

(MPa)

Hansen solubility parameters, (MPa)1/2

dD

19.0

dP

4.3

0.76

C

25

-4 o

33.00 200

C (K ) -1

-1

1/2

9.28 19.43

dH

2.0

Henry’s law constant

atm/m3-mol-1

3.70E-03

Relative permittivity

-

5.60

Flammability

3

Health

2

Reactivity

0

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R10,R20,R51-53

US safety phrases, S

S2,S24/25,S61

UN number

-

UN/NA hazard class

3

UN packaging group

III

ICAO/IATA class, packaging group

UN 1134 CHLOROBENZENE, 3, III

IMDG class, packaging group

UN 1134 CHLOROBENZENE, 3, III

Proper shipping name

chlorobenzene

Autoignition temperature

o

C

590

Flash point

o

C

27

Flash point method

-

CC

Explosion limit, lower

wt%

1.30

Explosion limit, upper

wt%

1134

11.00

Threshold limiting value – TWA 8h, ACGIH

mg m

46

Threshold limiting value – TWA 8h, ACGIH

ppm

10

Threshold limiting value – TWA 8h, OSHA

mg m-3

350

Threshold limiting value – TWA 8h, OSHA

ppm

75

Maximum exposure concentration NIOSH-IDLH

ppm

-3

Animal testing, acute toxicity, Rat oral LD50

mg kg

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

Carcinogenicity IARC

N

1,000 -1

2,290 75/6H

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

545

Chlorobenzene PARAMETER

UNIT

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

VALUE

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

0.03

Chemical oxygen demand

g g-1

0.41

Theoretical oxygen demand

gg

2.06

Biodegradation probability

-

15% 28 days

Montreal protocol

-

N

Partition coefficient

logKow

2.84

-1

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

546

Chloroethane PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Chloroethane

CAS #

-

75-00-3

IUPAC name

chloroethane

Common name

ethyl chloride

Common synonym

monochloroethane

Empirical formula

-

C2H5Cl

Formula

CH3CH2Cl

Molecular mass

daltons

64.5

RTECS number

-

KH7525000

Chemical category

-

halogenated

Mixture

-

N

EC number

-

200-830-5

PHYSICAL PROPERTIES State

-

G

Odor

-

characteristic

Odor threshold

ppm

1.0

Color

-

colorless

Boiling point

o

C

Freezing point

o

C

Refractive index at 20oC

-

1.3680

Specific gravity

-

0.918

Specific gravity temperature

o

Vapor density

air=1

2.22

Vapor pressure

kPa

133.3

Vapor pressure temperature

o

Enthalpy of vaporization

kJ mol-1

Enthalpy of vaporization temperature

K

Molar volume

cm mol

Coefficients of Antoine equation

coefficient A

12.5 -142.0

C

6

C

20 24.65 285.4 3

70.8

-1

4.16181

coefficient B

1052.821

coefficient C

-32.078

Temperature range of Antoine equation

K

217.2 to 285.7

Surface tension at 20 C

mN m

Solubility in water at 20oC

mg kg-1

Coefficient of thermal expansion

10

o

-4 o

19.50

-1

5,740

C (K ) -1

-1

14.40

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

547

Chloroethane PARAMETER

UNIT

VALUE

Hansen solubility parameters, (MPa)1/2

dD

15.7

dP

6.1

Henry’s law constant

dH

2.9

atm/m3-mol-1

8.90E-03

Flammability

4

Health

2

Reactivity

0

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R12,R40,R52,R53

US safety phrases, S

S9,S16,S33,S36/37,S61

UN number

-

UN/NA hazard class

2.1

ICAO/IATA class, packaging group

forbidden

IMDG class, packaging group

UN 2037 RECEPTACLES, SMALL, CONTAINING GAS, 2.1

Proper shipping name

receptacles, small, containing gas

Autoignition temperature

o

C

Flash point

o

C

Flash point method

-

CC

Explosion limit, lower

wt%

3.60

Explosion limit, upper

wt%

14.80

Threshold limiting value – TWA 8h, ACGIH

mg m-3

2,640

Threshold limiting value – TWA 8h, ACGIH

ppm

1,000

Threshold limiting value – TWA 8h, OSHA

mg m-3

2,600

Threshold limiting value – TWA 8h, OSHA

ppm

1,000

Maximum exposure concentration NIOSH-IDLH

ppm

3,800

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

15,000/6H

Carcinogenicity IARC

N

Carcinogenicity NTP

N

1037

510 -50.0

ECOLOGICAL PROPERTIES Montreal protocol

-

N

Partition coefficient

logKow

1.43

Ozone depletion potential

CFC11=1

0.001

-

Arkema, BASF AG

USE & PERFORMANCE Manufacturer

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

548

Chloroform PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Chloroform

CAS #

-

67-66-3

IUPAC name

chloroform

Common name

methane trichloride

Common synonym

formyl trichloride

Empirical formula

-

CHCl3

Formula

HCCl3

Molecular mass

daltons

119.37

RTECS number

-

FS9100000

Chemical category

-

halogenated

Mixture

-

N

EC number

-

200-663-8

-

L

PHYSICAL PROPERTIES State Odor

-

pleasant

Odor threshold

ppm

85.0

Color

-

colorless

Boiling point

o

C

61.2

Freezing point

o

C

-63.52

Refractive index at 20 C

-

1.446

Specific gravity

-

1.479

Specific gravity temperature

o

Vapor density

air=1

4.12

Vapor pressure

kPa

26.266

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

10.45

Enthalpy of vaporization

kJ mol-1

29.24

Enthalpy of vaporization temperature

K

334.3

Acceptor number

-

23.1

Donor number

kcal mol-1

Polarity parameter, ET(30)

kcal mol

Corrosivity

-

N

Molar volume

cm3 mol-1

80.5

o

C

25

C

25

-1

4.0 39.1

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

549

Chloroform PARAMETER

UNIT

VALUE

Coefficients of Antoine equation

coefficient A

4.56992

coefficient B

1486.455

coefficient C

-8.612

Temperature range of Antoine equation

K

334.4 to 527.0

Viscosity

mPas (cP)

0.5357

Viscosity temperature

o

Surface tension at 20oC

mN m-1

Solubility in water at 20 C

mg kg

Specific heat at 25 C

kJ K mol

Coefficient of thermal expansion

10-4 oC-1 (K-1)

13.15

Hildebrand solubility parameter

(MPa)1/2

19.41

dD

17.8

dP

3.1

o

o

Hansen solubility parameters, (MPa)

C

25

-1

1/2

26.53 7,950

-1

116.90

-1

dH

5.7

Henry’s law constant

atm/m -mol

Relative permittivity

-

4.81

Flammability

0

Health

2

Reactivity

0

3

-1

3.67E-03

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R22,R48/20/22,R38,R40

US safety phrases, S

S36/37

UN number

-

UN/NA hazard class

6.1

UN packaging group

III

ICAO/IATA class, packaging group

UN 1888 CHLOROFORM, 6.1, III

IMDG class, packaging group

UN 1888 CHLOROFORM, 6.1, III

Proper shipping name

chloroform

Autoignition temperature

o

Explosion limit, upper

wt%

12.90

Threshold limiting value – TWA 8h, ACGIH

mg m-3

50

Threshold limiting value – TWA 8h, ACGIH

ppm

10

Threshold limiting value – TWA 8h, OSHA

mg m-3

240

Threshold limiting value – TWA 8h, OSHA

ppm

50

Maximum exposure concentration NIOSH-IDLH

mg m-3

4,960

Maximum exposure concentration NIOSH-IDLH

ppm

500

Maximum concentration, 15 min., NIOSH

mg m

1888

C

624

-3

9.8

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

550

Chloroform PARAMETER

UNIT

VALUE

Maximum concentration, 15 min., NIOSH

ppm

2

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

908

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

20,000

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

-1

9,771/4H

Route of entry

Inh, Ing, Con

Target organs

Lvr,Kdny,Hrt,Eye,Skin

Carcinogenicity IARC

2B

Carcinogenicity NTP

P

Carcinogenicity OSHA

N

Mutagenic properties

Y

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

0.02

Theoretical oxygen demand

gg

Bioconcentration factor

-

Biodegradation probability

-

Hydroxyl rate constant

cm molecule s

1.03E-13

Montreal protocol

-

N

Partition coefficient

logKow

1.97

0.33

-1

0.92 weeks 3

-1

-1

Ozone depletion potential

CFC11=1

0.001

Urban ozone formation potential

C2H4=1

0

Soil absorption constant

-

2.60

UV absorption

nm

<220

USE & PERFORMANCE Manufacturer

Akzo Nobel Chem., Arkema, Inc.

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

551

Chloromethane PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Chloromethane

CAS #

-

74-87-3

IUPAC name

chloromethane

Common name

methyl chloride

Common synonym

monochloromethane

Empirical formula

-

CH3Cl

Formula

CH3Cl

Molecular mass

daltons

50.49

RTECS number

-

PA6300000

Chemical category

-

halogenated

Mixture

-

N

EC number

-

200-817-4

-

G

PHYSICAL PROPERTIES State Odor

-

faint, sweet

Odor threshold

ppm

10.0

Color

-

colorless

Boiling point

o

C

-24.2

Freezing point

o

C

-97.7

Refractive index at 20 C

-

1.334

Specific gravity

-

0.911

Specific gravity temperature

o

Vapor density

air=1

1.80

Vapor pressure

kPa

573.33

Vapor pressure temperature

o

o

C

25

C

25

Enthalpy of vaporization

kJ mol

Enthalpy of vaporization temperature

K

18.91

Corrosivity

-

Molar volume

cm mol

Coefficients of Antoine equation

coefficient A

-1

298.2 N 3

-1

50.1 4.91858

coefficient B

1427.529

coefficient C

45.137

Temperature range of Antoine equation

K

303.0 to 416.2

Surface tension at 20 C

mN m

-1

15.19

Solubility in water at 20oC

mg kg-1

5,325

o

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

552

Chloromethane PARAMETER

UNIT

VALUE

Specific heat at 25oC

kJ K-1 mol-1

80.33

Coefficient of thermal expansion

10-4 oC-1 (K-1)

22.73

Hildebrand solubility parameter

(MPa)1/2

19.84

Hansen solubility parameters, (MPa)1/2

dD

15.3

dP

9.9

dH

3.9

Henry’s law constant

atm/m3-mol-1

8.82E-03

Relative permittivity

-

12.60

Flammability

4

Health

2

Reactivity

0

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R12,R40,R48/20

US safety phrases, S

S2,S9,S16,S33

UN number

-

UN/NA hazard class

2.1

Autoignition temperature

o

C

Flash point

o

C

Flash point method

-

CC

Explosion limit, lower

wt%

8.1

Explosion limit, upper

wt%

17.4

Threshold limiting value – TWA 8h, ACGIH

mg m-3

103

Threshold limiting value – TWA 8h, ACGIH

ppm

50

Threshold limiting value – TWA 8h, OSHA

mg m-3

100

Threshold limiting value – TWA 8h, OSHA

ppm

50

1063 632 -50

21,000

Maximum exposure concentration NIOSH-IDLH

mg m

Maximum exposure concentration NIOSH-IDLH

ppm

10,000

Maximum concentration, 15 min., ACGIH

mg m-3

207

Maximum concentration, 15 min., ACGIH

ppm

100

Maximum concentration, 15 min., OSHA

mg m-3

205

Maximum concentration, 15 min., OSHA

ppm

100

Animal testing, acute toxicity, Rat oral LD50

mg kg

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

-3

-1

Route of entry

Inh, Con

Target organs

CNS,Lvr,Kdny,Skin

Carcinogenicity IARC

N

1,800 2,200/6H

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

553

Chloromethane PARAMETER

UNIT

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

Mutagenic properties

Y

VALUE

ECOLOGICAL PROPERTIES Theoretical oxygen demand

g g-1

0.95

Bioconcentration factor

-

0.46

Biodegradation probability

-

days-weeks

Hydroxyl rate constant

cm3 molecule-1 s-1

4.36E-14

Montreal protocol

-

N

Partition coefficient

logKow

0.91

Ozone depletion potential

CFC11=1

0.002

Urban ozone formation potential

C2H4=1

0

Soil absorption constant

-

1.87

UV absorption

nm

<200

USE & PERFORMANCE Manufacturer

Akzo Nobel Chem., Arkema, Inc.

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

554

Chloropropane, 2PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Chloropropane, 2-

CAS #

-

75-29-6

IUPAC name

2-chloropropane

Common name

isopropyl chloride

Common synonym

2-propyl chloride

Empirical formula

-

C3H7Cl

Formula

Cl

Molecular mass

daltons

78.539

RTECS number

-

UC7200000

EC number

-

200-858-8

Product contents

>90 wt%

PHYSICAL PROPERTIES State

-

L

Odor

-

chloroform-like

Color

-

colorless

Boiling point

o

C

35.7

Melting point

o

C

-117.2

Refractive index at 20 C o

-

1.377-1.395

Specific gravity

-

Specific gravity temperature

o

0.8617

Vapor density

air=1

2.7

Vapor pressure

hPa

592.1

Vapor pressure temperature

o

C

20

C

20

Viscosity

mPas (cP)

Viscosity temperature

o

Surface tension at 20oC

mN m-1

18.09

Solubility in water at 25 C

mg l

3,050

Henry’s law constant

atm/m3-mol-1

0.018

Flammability

4

Health

2

Reactivity

0

o

C

3.2E-04 20

-1

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R11-20/21/22

US safety phrases, S

S9-29

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

555

Chloropropane, 2PARAMETER

UNIT

VALUE 2356

UN number

-

UN/NA hazard class

3

UN packaging group

I

Autoignition temperature

o

C

593

Flash point

o

C

-32

Flash point method

-

CC

Explosion limit, lower

wt%

2.8

Explosion limit, upper

wt%

10.7

Animal testing, acute toxicity, Rat oral LD50

mg kg

>2,000

Animal testing, acute toxicity, Mouse oral LD50

mg kg-1

1,300

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

>2,000

Animal testing, acute toxicity, Rat inhalation, LC50

g m-3

Carcinogenicity IARC

3

-1

-1

120

ECOLOGICAL PROPERTIES Bioconcentration factor

-

16

Hydroxyl rate constant

cm molecule s

9.2E-13

Partition coefficient

logKow

1.9

3

-1

-1

USE & PERFORMANCE Recommended for products

solvent, intermediate

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

556

Dibromomethane PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Dibromomethane

CAS #

-

74-95-3

IUPAC name

dibromomethane

Common name

methylene bromide

Common synonym

methylene dibromide

Acronym

-

DBMA

Empirical formula

-

CH2Br2

Formula

BrCH2Br

Molecular mass

daltons

173.8

RTECS number

-

PA7350000

Chemical category

-

halogenated

Mixture

-

N

EC number

-

200-824-2

Properties

acidity <1 ml NaOH/100 ml

Product contents

assay >99 wt%, water <750 ppm

PHYSICAL PROPERTIES State

-

L

Odor

-

ether-like

Color

-

colorless

Boiling point

o

C

97.0

Freezing point

o

C

-52.7

Refractive index at 20 C o

-

1.5380

Specific gravity

-

Specific gravity temperature

o

2.500

Vapor density

air=1

6.05

Vapor pressure

kPa

4.4

Vapor pressure temperature

o

Enthalpy of vaporization

kJ mol

Enthalpy of vaporization temperature

K

370.1

Polarity parameter, ET(30)

kcal mol-1

39.4

Corrosivity

-

N

Molar volume

cm3 mol-1

69.8

Coefficients of Antoine equation

coefficient A

4.51734

C

20

C

20 -1

32.92

coefficient B

1546.096

coefficient C

-28.977

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

557

Dibromomethane PARAMETER

UNIT

VALUE

Temperature range of Antoine equation

K

238.0 to 371.7

Viscosity

mPas (cP)

6.68

Viscosity temperature

o

Solubility in water at 20oC

mg kg-1

Coefficient of thermal expansion

10

Hildebrand solubility parameter

(MPa)

Hansen solubility parameters, (MPa)1/2

dD

19.0

dP

6.4

C

25 -4 o

12,000

C (K ) -1

-1

1/2

10.21 21.99

dH

7.0

Henry’s law constant

atm/m3-mol-1

9.40E-04

Relative permittivity

-

7.80

Flammability

0

Health

2

Reactivity

1

HEALTH & SAFETY HMIS classification

UN risk phrases, R

R20,R52/53,R59

US safety phrases, S

S26,S59,S61

UN number

-

UN/NA hazard class

6.1

UN packaging group

III

2664

DOT class

6.1, III

ICAO/IATA class, packaging group

UN 2664 DIBROMOMETHANE, 6.1, III

IMDG class, packaging group

UN 2664 DIBROMOMETHANE, 6.1, III

Proper shipping name

dibromomethane

Flash point

o

Explosion limit, upper

wt%

27.3

Montreal protocol

-

N

Partition coefficient

logKow

1.54

C

34

ECOLOGICAL PROPERTIES

USE & PERFORMANCE Manufacturer

Albemarle S.A., Great Lakes/Chemtura

Recommended for products

Organic synthesis, agrichemical intermediate, biocide intermediate

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

558

Dichlorobenzene, 1,2PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Dichlorobenzene, 1,2-

CAS #

-

95-50-1

IUPAC name

1,2-dichlorobenzene

Common name

dichlorobenzene, o-

Acronym

-

12DCBZ

Empirical formula

-

C6H4Cl2

Formula

Cl Cl

Molecular mass

daltons

147

RTECS number

-

CZ4500000

Chemical category

-

halogenated

Mixture

-

N

EC number

-

202-425-9

State

-

L

Odor

-

characteristic

Odor threshold

ppm

50

Color

-

colorless

Boiling point

o

C

Freezing point

o

C

Refractive index at 20oC

-

1.5490

Specific gravity

-

1.310

Specific gravity temperature

o

Vapor density

air=1

5.1

Vapor pressure

kPa

0.16

Vapor pressure temperature

o

Donor number

kcal mol

-1

Polarity parameter, ET(30)

kcal mol

-1

Corrosivity

-

N

Molar volume

cm3 mol-1

113

Coefficients of Antoine equation

coefficient A

4.19518

coefficient B

1649.55

coefficient C

-59.836

K

293.1 to 453.6

PHYSICAL PROPERTIES

Temperature range of Antoine equation

180 -17

C

20

C

20 3.0 38.0

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

559

Dichlorobenzene, 1,2PARAMETER

UNIT

VALUE

Viscosity

mPas (cP)

Viscosity temperature

o

Surface tension at 20oC

mN m-1

Solubility in water at 20oC

mg kg-1

Coefficient of thermal expansion

10

Hildebrand solubility parameter

(MPa)

Hansen solubility parameters, (MPa)1/2

dD

19.2

dP

6.3

1.324

C

25

-4 o

37.0 92

C (K ) -1

-1

1/2

8.59 20.13

dH

3.3

Henry’s law constant

atm/m3-mol-1

1.90E-03

Relative permittivity

-

12.12

Flammability

2

Health

2

HEALTH & SAFETY NFPA classification

HMIS classification

Reactivity

0

Flammability

1

Health

2

Reactivity

1

UN risk phrases, R

R22,R36/37/38,R50/53

US safety phrases, S

S2,S23,S60,S61

UN number

-

UN/NA hazard class

6.1

1591

UN packaging group

III

DOT class

6.1, III

ICAO/IATA class, packaging group

UN 1591 ORTHO-DICHLOROBENZENE, 6.1, III

IMDG class, packaging group

UN 1591 ORTHO-DICHLOROBENZENE, 6.1, III

Proper shipping name

ortho-dichlorobenzene

Autoignition temperature

o

C

648

Flash point

o

C

66

Flash point method

-

CC

Explosion limit, lower

wt%

2.2

Explosion limit, upper

wt%

9.2

Threshold limiting value – TWA 8h, ACGIH

mg m

150

Threshold limiting value – TWA 8h, ACGIH

ppm

25

Threshold limiting value – TWA 8h, OSHA

mg m-3

300

Threshold limiting value – TWA 8h, OSHA

ppm

50

-3

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

560

Dichlorobenzene, 1,2PARAMETER

UNIT

VALUE

Maximum concentration, any time, OSHA

ppm

50

Maximum concentration, 15 min., ACGIH

mg m-3

301

Maximum concentration, 15 min., ACGIH

ppm

50

Maximum concentration, 15 min., NIOSH

ppm

Animal testing, acute toxicity, Rat oral LD50

200

mg kg

-1

500-2,138

Animal testing, acute toxicity, Mouse oral LD50

mg kg

-1

1,228-4,386

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

Route of entry

Ing, Intravenous

Target organs

Lvr,Kdny

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Aquatic toxicity, Bluegill sunfish, 96-h LC50 Aquatic toxicity, Daphnia magna, 24-h LC50 Aquatic toxicity Fathead minnow, 48-h LC50 Aquatic toxicity, Rainbow trout, 48-h LC50

8,210/4H

mg l-1

27,000

mg l-1

1,700

mg l

-1

60,700-102,600

mg l

-1

2,200-2,400

Montreal protocol

-

N

Partition coefficient

logKow

3.43

USE & PERFORMANCE Manufacturer

Polimeri Europa, Beckmann-Kenko GmbH, TCI America

Recommended for products

solvent which become part of formulation or mixture

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

561

Dichloromethane PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Dichloromethane

CAS #

-

75-09-2

IUPAC name

dichloromethane

Common name

methylene chloride

Common synonym

R 30

Acronym

-

MECL

Empirical formula

-

CH2Cl2

Formula

CH2Cl2

Molecular mass

daltons

84.94

RTECS number

-

PA8050000

Chemical category

-

halogenated

Mixture

-

N

EC number

-

200-838-9

State

-

L

Odor

-

ether-like

Odor threshold

ppm

250.0

Color

-

colorless

Boiling point

o

C

Freezing point

o

C

Refractive index at 20oC

-

1.4240

Specific gravity

-

1.326

Specific gravity temperature

o

Vapor density

air=1

2.90

Vapor pressure

kPa

58

Vapor pressure temperature

o

C

25

Evaporation rate

butyl acetate=1

PHYSICAL PROPERTIES

39.6 -94.92

C

25

27.5 28.53

Enthalpy of vaporization

kJ mol

Enthalpy of vaporization temperature

K

Acceptor number

-

Donor number

kcal mol

Polarity parameter, ET(30)

kcal mol-1

40.7

Molar volume

cm mol

64.4

Kauri butanol number

-

-1

298.2 20.4

3

-1

-1

1.0

136

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

562

Dichloromethane PARAMETER

UNIT

VALUE

Coefficients of Antoine equation

coefficient A

7.18431

coefficient B

1368.46

coefficient C

232.2

Viscosity

mPas (cP)

0.4043

Viscosity temperature

o

C

27

Surface tension at 20 C

mN m

Solubility in water at 20oC

mg kg-1

Heat of combustion at 25 C

MJ kg

Specific heat at 25 C

kJ K mol

Coefficient of thermal expansion

10-4 oC-1 (K-1)

14.43

Hildebrand solubility parameter

(MPa)1/2

20.21

dD

17.0

dP

7.3

o

o

o

Hansen solubility parameters, (MPa)

13,030 6.57

-1

-1

1/2

27.89

-1

100.88

-1

dH

7.1

Henry’s law constant

atm/m -mol

Relative permittivity

-

9.10

Flammability

1

Health

2

Reactivity

0

3

-1

2.46E-03

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R40

US safety phrases, S

S2,S23,S24/25,S36/37

UN number

-

UN/NA hazard class

6.1

UN packaging group

III

ICAO/IATA class, packaging group

UN 1593 DICHLOROMETHANE, 6.1, III

IMDG class, packaging group

UN 1593 DICHLOROMETHANE, 6.1, III

Proper shipping name

dichloromethane

Autoignition temperature

o

C

605

Flash point

o

C

-4

Explosion limit, lower

wt%

Explosion limit, upper

wt%

22.0

Threshold limiting value – TWA 8h, ACGIH

mg m-3

174

Threshold limiting value – TWA 8h, ACGIH

ppm

50

Threshold limiting value – TWA 8h, OSHA

ppm

Maximum exposure concentration NIOSH-IDLH

mg m

17,650

Maximum exposure concentration NIOSH-IDLH

ppm

2,300

1593

14.0

25 -3

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

563

Dichloromethane PARAMETER

UNIT

VALUE

Maximum concentration, any time, OSHA

mg m-3

3,530

Maximum concentration, 15 min., OSHA

ppm

126

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

1,600

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

4,500/24H

Route of entry

Inh, Ing, Con

Target organs

Skin,CVS,Eye,CNS,Lvr

Carcinogenicity IARC

2B

Carcinogenicity NTP

P

Carcinogenicity OSHA

N

Mutagenic properties

Y

ECOLOGICAL PROPERTIES Theoretical oxygen demand

g g-1

0.38

Bioconcentration factor

-

0.72

Biodegradation probability

-

days-weeks

Hydroxyl rate constant

cm3 molecule-1 s-1

1.42E-13

Montreal protocol

-

N

Partition coefficient

logKow

1.25

Ozone depletion potential

CFC11=1

0.001

Urban ozone formation potential

C2H4=1

0

Soil absorption constant

-

1.45

UV absorption

nm

<220

USE & PERFORMANCE Manufacturer

Occidental Chemical

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

564

Difluorobenzene, 1,2PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Difluorobenzene, 1,2-

CAS #

-

367-11-3

IUPAC name

1,2-difluorobenzene

Common name

o-difluorobenzene

Acronym

-

DFB

Empirical formula

-

C6H4F2

Formula

F F

Molecular mass

daltons

114.1

RTECS number

-

CZ5655000

Chemical category

-

halogenated

Mixture

-

N

EC number

-

206-680-7

State

-

L

Color

-

colorless

Boiling point

o

C

92.0

Freezing point

o

C

-34.0

PHYSICAL PROPERTIES

Refractive index at 20 C

-

1.4450

Specific gravity

-

1.170

Specific gravity temperature

o

Vapor pressure

kPa

Vapor pressure temperature

o

o

C

20 7.12

C

25 32.21

Enthalpy of vaporization

kJ mol

Enthalpy of vaporization temperature

K

Corrosivity

-

Molar volume

cm mol

Coefficients of Antoine equation

coefficient A

4.14521

coefficient B

1310.271

Temperature range of Antoine equation

-1

367.1 N 3

98.5

-1

coefficient C

-50.563

K

304.3 to 403.4

Viscosity

mPas (cP)

Viscosity temperature

o

Solubility in water at 20oC

mg kg-1

Coefficient of thermal expansion

10

0.617

C

25 -4 o

1,140

C (K ) -1

-1

11.90

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

565

Difluorobenzene, 1,2PARAMETER

UNIT

VALUE

Hansen solubility parameters, (MPa)1/2

dD

18.0

dP

9.0

dH

1.0

atm/m3-mol-1

7.00E-03

Henry’s law constant

HEALTH & SAFETY HMIS classification

UN risk phrases, R

Flammability Health

1

Reactivity

1

R11,R20

US safety phrases, S

S7,S16,S29,S33

UN number

-

1993

UN/NA hazard class

3

UN packaging group

II

ICAO/IATA class, packaging group

UN 1993 FLAMMABLE LIQUID, N.O.S. (1,2-DIFLUOROBENZENE), 3, II

IMDG class, packaging group

UN 1993 FLAMMABLE LIQUID, N.O.S. (1,2-DIFLUOROBENZENE), 3, II

Proper shipping name

flammable liquid, n.o.s. (1,2 diefluorobenzene)

Flash point

o

Route of entry

Eye, Skin

C

2.2

HEALTH & SAFETY Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Partition coefficient

logKow

2.37

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

566

Difluorobenzene, 1,3PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Difluorobenzene, 1,3-

CAS #

-

372-18-9

IUPAC name

1,3-difluorobenzene

Common name

m-difluorobenzene

Acronym

-

DFB

Empirical formula

-

C6H4F2

Formula

F

F

Molecular mass

daltons

114.1

RTECS number

-

CZ5652000

Chemical category

-

halogenated

Mixture

-

N

EC number

-

206-746-5

State

-

L

Color

-

clear to light yellow

Boiling point

o

C

81.0

Freezing point

o

C

-59.0

PHYSICAL PROPERTIES

Refractive index at 20 C

-

1.4380

Specific gravity

-

1.157

Specific gravity temperature

o

o

C

18

Enthalpy of vaporization

kJ mol

Enthalpy of vaporization temperature

K

355.7

Corrosivity

-

N

Molar volume

cm3 mol-1

99.5

Viscosity

mPas (cP)

0.649

Viscosity temperature

o

Solubility in water at 20oC

mg kg-1

Coefficient of thermal expansion

10

Hansen solubility parameters, (MPa)

1/2

31.10

-1

C

25 -4 o

1,140

C (K ) -1

-1

dD

17.9

dP

4.6

dH Henry’s law constant

11.90

2.7

atm/m -mol 3

-1

7.80E-02

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

567

Difluorobenzene, 1,3PARAMETER

UNIT

VALUE

Flammability

3

Health

1

Reactivity

1

HEALTH & SAFETY HMIS classification

UN risk phrases, R

R11,R20

US safety phrases, S

S7,S16,S29,S33

UN number

-

UN/NA hazard class

3

UN packaging group

II

ICAO/IATA class, packaging group

UN 1993 FLAMMABLE LIQUID, N.O.S. (1,3-DIFLUOROBENZENE), 3, II

IMDG class, packaging group

UN 1993 FLAMMABLE LIQUID, N.O.S. (1,3-DIFLUOROBENZENE), 3, II

Proper shipping name

flammable liquid, n.o.s. (1,3-difluorobenzene)

Flash point

o

Route of entry

Inh, Ing, Eye, Skin

Ingestion

Harmful if swallowed

Skin irritation

May cause skin irritation

Eye irritation

May cause eye irritation

Inhalation

May cause respiratory tract irritation

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

C

1993

2.0

ECOLOGICAL PROPERTIES Partition coefficient

logKow

2.21

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

568

Diflurobenzene, 1,4PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Diflurobenzene, 1,4-

CAS #

-

540-36-3

IUPAC name

1,4-difluorobenzene

Common name

p-difluorobenzene

Acronym

-

DFB

Empirical formula

-

C6H4F2

Formula

F F

Molecular mass

daltons

114.1

RTECS number

-

CZ5658000

Chemical category

-

halogenated

Mixture

-

N

EC number

-

208-742-9

State

-

L

Color

-

colorless

Boiling point

o

C

87.0

Freezing point

o

C

-13.0

PHYSICAL PROPERTIES

Refractive index at 20 C

-

1.4410

Specific gravity

-

1.170

Specific gravity temperature

o

o

C

18 31.77

Enthalpy of vaporization

kJ mol

Enthalpy of vaporization temperature

K

Corrosivity

-

Molar volume

cm mol

Viscosity

mPas (cP)

Viscosity temperature

o

-1

362.0 N 3

99.8

-1

0.669

C

25

Solubility in water at 20 C

mg kg

Coefficient of thermal expansion

10-4 oC-1 (K-1)

11.8

Hansen solubility parameters, (MPa)1/2

dD

18.3

dP

6.2

o

1200

-1

dH Henry’s law constant

3.4

atm/m -mol 3

-1

7.60E-03

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

569

Diflurobenzene, 1,4PARAMETER

UNIT

VALUE

Flammability

3

Health

1

Reactivity

1

HEALTH & SAFETY HMIS classification

UN risk phrases, R

R11,R20

US safety phrases, S

S7,S16,S29,S33

UN number

-

UN/NA hazard class

3

UN packaging group

II

ICAO/IATA class, packaging group

UN 1993 FLAMMABLE LIQUID, N.O.S. (1,4-DIFLUOROBENZENE), 3, II

IMDG class, packaging group

UN 1993 FLAMMABLE LIQUID, N.O.S. (1,4-DIFLUOROBENZENE), 3, II

Proper shipping name

flammable liquid, n.o.s. (1,4-difluorobenzene)

Flash point

o

C

1993

2.0

HEALTH & SAFETY Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Partition coefficient

logKow

2.13

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

570

Hexafluorobenzene PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Hexafluorobenzene

CAS #

-

392-56-3

IUPAC name

1,2,3,4,5,6-hexafluorobenzene

Common name

perfluorobenzene

Empirical formula

-

C6F6

Formula

F F

F

F

F F

Molecular mass

daltons

186.06

RTECS number

-

DA3050000

Chemical category

-

halogenated

Mixture

-

N

EC number

-

206-876-2

State

-

L

Color

-

colorless

Boiling point

o

C

80.0

Freezing point

o

C

4 to 6

PHYSICAL PROPERTIES

Refractive index at 20 C

-

1.3769

Specific gravity

-

1.620

Specific gravity temperature

o

C

20

Vapor pressure

kPa

7.7

Vapor pressure temperature

o

Enthalpy of vaporization

kJ mol

Enthalpy of vaporization temperature

K

Polarity parameter, ET(30)

kcal mol-1

34.2

Molar volume

cm mol

115.8

Coefficients of Antoine equation

coefficient A

4.16054

coefficient B

1229.449

o

C

20 31.66

-1

353.3 3

-1

coefficient C

-57.503

K

278.3 to 387.2

Viscosity

mPas (cP)

0.86

Viscosity temperature

o

Coefficient of thermal expansion

10-4 oC-1 (K-1)

13.50

Hildebrand solubility parameter

(MPa)1/2

16.59

Temperature range of Antoine equation

C

25

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

571

Hexafluorobenzene PARAMETER

UNIT

VALUE

Hansen solubility parameters, (MPa)1/2

dD

16.0

dP

0.0

dH

0.0

Flammability

1

Health

1

Reactivity

1

HEALTH & SAFETY HMIS classification

UN risk phrases, R

R11,R18

US safety phrases, S

S16,S29,S33,S9

UN number

-

UN/NA hazard class

3

UN packaging group

II

ICAO/IATA class, packaging group

UN 1993 Flammable liquid, (Hexafluorobenzene) N.O.S., 3, II

IMDG class, packaging group

UN 1993 Flammable liquid, (Hexafluorobenzene) N.O.S., 3, II

Proper shipping name

flammable liquid, n.o.s. (hexafluorobenzene)

Flash point

o

Explosion limit, upper

wt%

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

Route of entry

Eye, Skin

Skin irritation

Irritating to the skin

Eye irritation

Causes irritation of the eyes

Inhalation

Irritating to the nose, mucous membranes and respiratory tract

First aid: eyes

Immediately flush the eyes with copious amounts of water for at least 10-15 minutes, keeping eye lids open. Get immediate medical attention

First aid: skin

Wash the affected area with water. Remove contaminated clothes if necessary. Seek medical assistance if irritation persists

First aid: inhalation

Remove the victim to fresh air. Closely monitor the victim for signs of respiratory problems, such as difficulty in breathing. Seek medical assistance if irritation persists

Carcinogenicity IARC

N

1993

C

10.0 13.60 -1

1,220

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

572

Hexafluorobenzene PARAMETER

UNIT

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

VALUE

ECOLOGICAL PROPERTIES Partition coefficient

logKow

2.55

USE & PERFORMANCE Recommended for products

Solvent used in the laboratory for several purposes

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

573

Propyl bromide, nPARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Propyl bromide, n-

CAS #

-

106-94-5

IUPAC name

1-bromopropane

Common name

propyl bromide

Empirical formula

-

C3H7Br

Formula

CH3CH2CH2Br

Molecular mass

daltons

122.99

RTECS number

-

TX4110000

Chemical category

-

halogenated

Mixture

-

N

EC number

-

203-445-0

Product contents

assay >99 wt%

PHYSICAL PROPERTIES State

-

L

Odor

-

sweet

Color

-

colorless

Boiling point

o

C

70.8

Freezing point

o

C

-108.0

Refractive index at 20 C

-

1.4340

Specific gravity

-

1.353

Specific gravity temperature

o

Vapor density

air=1

4.25

Vapor pressure

kPa

14.76

Vapor pressure temperature

o

Enthalpy of vaporization

kJ mol-1

Enthalpy of vaporization temperature

K

Molar volume

cm mol

Coefficients of Antoine equation

coefficient A

4.16256

coefficient B

1259.836

o

C

20

C

20 29.84 344.2 3

91.4

-1

coefficient C

-41.108

K

220.0 to 344.0

Viscosity

mPas (cP)

0.5

Viscosity temperature

o

Solubility in water at 20oC

mg kg-1

Coefficient of thermal expansion

10

Temperature range of Antoine equation

C

25 -4 o

2,440

C (K ) -1

-1

12.70

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

574

Propyl bromide, nPARAMETER

UNIT

VALUE

Hansen solubility parameters, (MPa)1/2

dD

16.4

dP

7.9

dH

4.8

Henry’s law constant

atm/m3-mol-1

7.30E-03

Relative permittivity

-

7.20

Flammability

2

Health

2

Reactivity

0

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R60,R11,R10,R65,R36/37/38,R63,R67

US safety phrases, S

S53,S45

UN number

-

UN/NA hazard class

3

UN packaging group

III

2344

DOT class

3, III

ICAO/IATA class, packaging group

UN 2344 BROMOPROPANES, 3, III

IMDG class, packaging group

UN 2344 BROMOPROPANES, 3, III

Proper shipping name

bromopropanes

Autoignition temperature

o

C

490.0

Flash point

o

C

-10

Explosion limit, lower

wt%

3.40

Maximum concentration, any time, ACGIH

ppm

Animal testing, acute toxicity, Rat oral LD50

mg kg

2,000

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

7,000/4H

10 -1

Route of entry

Skin,Eye

Skin irritation

Causes skin irritation.

Eye irritation

Causes serious eye irritation.

Inhalation

May cause drowsiness or dizziness. Danger of serious damage to health by prolonged exposure through inhalation

First aid: eyes

Rinse immediately with plenty of water and seek medical advice.

First aid: skin

Wash immediately affected areas with water while removing contaminated clothing. Immediate medical attention required.

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

575

Propyl bromide, nPARAMETER

UNIT

VALUE

First aid: inhalation

Remove immediately the affected individual into fresh air and keep the person calm. Assist in breathing if necessary. Immediate medical attention required.

ECOLOGICAL PROPERTIES Montreal protocol

-

N

Partition coefficient

logKow

2.10

Manufacturer

-

generic

Potential substitute for

solvent replacement for ozone-depleting solvents

Recommended for products

Solvent cleaning is used in four different sectors of the industry: metal cleaning, electronics cleaning, precision cleaning, plastics cleaning

USE & PERFORMANCE

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

576

Tetrachloroethylene, 1,1,2,2PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Tetrachloroethylene, 1,1,2,2-

CAS #

-

127-18-4

IUPAC name

1,1,2,2-tetrachloroethene

Common name

perchloroethylene

Common synonym

ethylene tetrachloride

Empirical formula

-

C2Cl4

Formula

Cl C C Cl Cl Cl

Molecular mass

daltons

165.82

RTECS number

-

KX3850000

Chemical category

-

halogenated

Mixture

-

N

EC number

-

204-825-9

-

L

PHYSICAL PROPERTIES State Odor

-

chloroform-like

Odor threshold

ppm

27.0

Color

-

colorless

Boiling point

o

C

121.1

Freezing point

o

C

-22.35

Refractive index at 20 C o

-

1.5030

Specific gravity

-

Specific gravity temperature

o

1.619

Vapor density

air=1

5.80

Vapor pressure

kPa

1.866

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

1.50

Enthalpy of vaporization

kJ mol-1

34.68

Enthalpy of vaporization temperature

K

Polarity parameter, ET(30)

kcal mol

Corrosivity

-

N

Molar volume

cm3 mol-1

102.8

Kauri butanol number

-

90

C

25

C

20

394.1 -1

32.1

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

577

Tetrachloroethylene, 1,1,2,2PARAMETER

UNIT

VALUE

Coefficients of Antoine equation

coefficient A

4.18056

coefficient B

1440.819

coefficient C

-49.171

Temperature range of Antoine equation

K

301.0 to 380.8

Viscosity

mPas (cP)

0.84

Viscosity temperature

o

Surface tension at 20oC

mN m-1

Solubility in water at 20 C

mg kg

Specific heat at 25 C

kJ K mol

Coefficient of thermal expansion

10-4 oC-1 (K-1)

9.80

Hildebrand solubility parameter

(MPa)1/2

19.02

dD

18.3

dP

5.7

o

o

Hansen solubility parameters, (MPa)

C

25

-1

1/2

31.30 200

-1

146.48

-1

dH

0.0

Henry’s law constant

atm/m -mol

Relative permittivity

-

2.24

Flammability

0

Health

2

Reactivity

0

3

-1

1.84E-02

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R40,R51,R53

US safety phrases, S

S2,S23,S36/37,S61

UN number

-

UN/NA hazard class

6.1

UN packaging group

III

1897

DOT class

6.1, III

ICAO/IATA class, packaging group

UN 1897 TETRACHLOROETHYLENE, 6.1, III

IMDG class, packaging group

UN 1897 TETRACHLOROETHYLENE, 6.1, III

Proper shipping name

tetrachloroethylene

Threshold limiting value – TWA 8h, ACGIH

mg m-3

339

Threshold limiting value – TWA 8h, ACGIH

ppm

50

Threshold limiting value – TWA 8h, OSHA

ppm

100

Maximum exposure concentration NIOSH-IDLH

mg m

3,445

Maximum exposure concentration NIOSH-IDLH

ppm

150

Maximum concentration, any time, ACGIH

mg m-3

335

Maximum concentration, any time, ACGIH

ppm

25

-3

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

578

Tetrachloroethylene, 1,1,2,2PARAMETER

UNIT

Maximum concentration, any time, OSHA

mg m-3

168

Maximum concentration, any time, OSHA

ppm

25

Maximum concentration, 15 min., ACGIH

mg m-3

1,357

Maximum concentration, 15 min., ACGIH

ppm

200

Maximum concentration, 15 min., OSHA

mg m-3

7.0

Animal testing, acute toxicity, Rat oral LD50

mg kg

2,629

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

-1

VALUE

900/7H

Route of entry

Inh, Ing, Con

Target organs

Lvr,Kdny,Eye,upRspSys,CNS

Carcinogenicity IARC

2A

Carcinogenicity NTP

P

Carcinogenicity OSHA

N

Mutagenic properties

Y

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

0.03

Theoretical oxygen demand

gg

0.19

-1

Bioconcentration factor

-

1.69

Biodegradation probability

-

weeks

Hydroxyl rate constant

cm3 molecule-1 s-1

1.67E-13

Montreal protocol

-

N

Partition coefficient

logKow

3.40

Urban ozone formation potential

C2H4=1

0

Soil absorption constant

-

2.56

UV absorption

nm

<254

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

579

Trichloroethane, 1,1,1PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Trichloroethane, 1,1,1-

CAS #

-

71-55-6

IUPAC name

1,1,1-trichloroethane

Common name

methyl chloroform

Common synonym

chlorothene

Acronym

-

111TCEA

Empirical formula

-

C2H3Cl3

Formula

CH3CCl3

Molecular mass

daltons

133.4

RTECS number

-

KJ2975000

Chemical category

-

halogenated

Mixture

-

N

EC number

-

200-756-3

-

L

PHYSICAL PROPERTIES State Odor

-

chloroform-like

Color

-

colorless

Boiling point

o

C

Freezing point

o

C

Refractive index at 20oC

-

74.1 -35.0 1.4370

Specific gravity

-

Specific gravity temperature

o

1.336

Vapor density

air=1

4.55

Vapor pressure

kPa

13.33

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

C

20

C

20 6.00 29.86

Enthalpy of vaporization

kJ mol

Enthalpy of vaporization temperature

K

347.2

Polarity parameter, ET(30)

kcal mol-1

36.2

Corrosivity

-

N

Molar volume

cm3 mol-1

99.3

Kauri butanol number

-

124

Coefficients of Antoine equation

coefficient A

5.88607

coefficient B

2210.179

coefficient C

34.902

-1

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

580

Trichloroethane, 1,1,1PARAMETER

UNIT

VALUE

Temperature range of Antoine equation

K

267.8 to 290.1

Viscosity

mPas (cP)

0.795

Viscosity temperature

o

Surface tension at 20oC

mN m-1

25.56

Solubility in water at 20 C

mg kg

-1

1,495

Heat of combustion at 25 C

MJ kg

-1

8.31

Specific heat at 25oC

kJ K-1 mol-1

Coefficient of thermal expansion

10

Hildebrand solubility parameter

(MPa)

Hansen solubility parameters, (MPa)1/2

dD

16.8

dP

4.3

o

o

C

25

-4 o

C (K ) -1

-1

1/2

144.39 12.00 17.39

dH

2.0

Henry’s law constant

atm/m3-mol-1

1.72E-02

Relative permittivity

-

7.25

Flammability

1

Health

3

Reactivity

1

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R20,R59,R66,R40,R19,R39/23/24/2,R2 3/24/25,R11

US safety phrases, S

S2,S24/25,S59,S61,S9,S46,S16,S45 ,S36/37

UN number

-

UN/NA hazard class

6.1

UN packaging group

III

2831

DOT class

6.1, III

ICAO/IATA class, packaging group

UN 2831 1,1,1-TRICHLOROETHANE, 6.1, III

IMDG class, packaging group

UN 2831 1,1,1-TRICHLOROETHANE, 6.1, III

Proper shipping name

1,1,1-trichloroethane

Autoignition temperature

o

C

537

Explosion limit, lower

wt%

7.50

Explosion limit, upper

wt%

12.50

Threshold limiting value – TWA 8h, ACGIH

mg m

1,910

Threshold limiting value – TWA 8h, ACGIH

ppm

350

Threshold limiting value – TWA 8h, OSHA

mg m-3

1,900

Threshold limiting value – TWA 8h, OSHA

ppm

350

-3

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

581

Trichloroethane, 1,1,1PARAMETER

UNIT

Maximum exposure concentration NIOSH-IDLH

mg m-3

5,550

Maximum exposure concentration NIOSH-IDLH

ppm

1,000

Maximum concentration, any time, ACGIH

ppm

350

Maximum concentration, any time, NIOSH

mg m-3

1,900

Maximum concentration, any time, NIOSH

ppm

350

Maximum concentration, any time, OSHA

mg m

Maximum concentration, any time, OSHA

ppm

350

Maximum concentration, 15 min., ACGIH

mg m-3

2,460

Maximum concentration, 15 min., ACGIH

ppm

450

Maximum concentration, 15 min., OSHA

mg m-3

2,450

Maximum concentration, 15 min., OSHA

ppm

450

-3

VALUE

1,900

Animal testing, acute toxicity, Rat oral LD50

mg kg

-1

9,600

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

5,000

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

18,000/4H

Route of entry

Inh, Ing, Con

Skin irritation

May cause skin irritation.

Eye irritation

May cause eye irritation.

Inhalation

Harmful by inhalation

Target organs

Skin,CNS,CVS,Eye

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

Mutagenic properties

Y

ECOLOGICAL PROPERTIES Theoretical oxygen demand

g g-1

0.48

Bioconcentration factor

-

0.95

Biodegradation probability

-

weeks

Hydroxyl rate constant

cm3 molecule-1 s-1

1.19E-14

Global warming potential

110

Partition coefficient

logKow

2.49

Ozone depletion potential

CFC11=1

0.16

Urban ozone formation potential

C2H4=1

0

Soil absorption constant

-

2.25

UV absorption

nm

<220

Recommended for products

Solvent for adhesives, in cold type metal cleaning, in cleaning plastic molds.

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

582

Trichloroethane, 1,1,2PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Trichloroethane, 1,1,2-

CAS #

-

79-00-5

IUPAC name

1,1,2-trichloroethane

Common name

vinyl trichloride

Acronym

-

112TCEA

Empirical formula

-

C2H3Cl3

Formula

ClCH2CHCl2

Molecular mass

daltons

133.4

RTECS number

-

KJ3150000

Chemical category

-

halogenated

Mixture

-

N

EC number

-

201-166-9

Product contents

1,1,2-Trichloroethane 99.9 wt%

PHYSICAL PROPERTIES State

-

L

Odor

-

characteristic

Color

-

colorless

Boiling point

o

C

Freezing point

o

C

Refractive index at 20oC

-

1.4680

Specific gravity

-

1.440

Specific gravity temperature

o

Vapor density

air=1

4.60

Vapor pressure

kPa

2.26

Vapor pressure temperature

o

Enthalpy of vaporization

kJ mol-1

Enthalpy of vaporization temperature

K

114.0 -36.0

C

20

C

20 34.82 386.9

Polarity parameter, ET(30)

kcal mol

-1

40.3

Molar volume

cm3 mol-1

92.9

Coefficients of Antoine equation

coefficient A

4.06974

coefficient B

1310.297

coefficient C

-64.41

Temperature range of Antoine equation

K

323.1 to 386.8

Viscosity

mPas (cP)

1.1

Viscosity temperature

o

C

25

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

583

Trichloroethane, 1,1,2PARAMETER

UNIT

VALUE

Surface tension at 20oC

mN m-1

32.50

Solubility in water at 20 C

mg kg-1

Coefficient of thermal expansion

10

Hildebrand solubility parameter

(MPa)1/2

19.74

dD

18.2

dP

5.3

o

Hansen solubility parameters, (MPa)

1/2

-4 o

4,400

C (K ) -1

-1

dH Henry’s law constant

11.0

6.8

atm/m -mol 3

-1

8.70E-04

HEALTH & SAFETY NFPA classification

HMIS classification

Flammability

1

Health

2

Reactivity

0

Flammability

1

Health

2

Reactivity

0

UN risk phrases, R

R40,R20/21/22,R66

US safety phrases, S

S2,S9,S36/37,S46

UN number

-

UN/NA hazard class

6.1

2810

UN packaging group

III

DOT class

UN 2810 1,1,2-Trichloroethane, TOXIC LIQUID, ORGANIC N.O.S., 6.1, III

ICAO/IATA class, packaging group

UN 2810 1,1,2-TRICHLOROETHANE, TOXIC LIQUID, ORGANIC N.O.S., 6.1, III

IMDG class, packaging group

UN 2810 1,1,2-TRICHLOROETHANE, TOXIC LIQUID, ORGANIC N.O.S., 6.1, III

Proper shipping name

toxic liquids, organic, n.o.s.

Autoignition temperature

o

C

500

Explosion limit, lower

wt%

8.30

Explosion limit, upper

wt%

12.10

Threshold limiting value – TWA 8h, ACGIH

mg m-3

55

Threshold limiting value – TWA 8h, ACGIH

ppm

10

Threshold limiting value – TWA 8h, OSHA

mg m

45

Threshold limiting value – TWA 8h, OSHA

ppm

10

Maximum exposure concentration NIOSH-IDLH

ppm

Animal testing, acute toxicity, Rat oral LD50

mg kg

-3

100 -1

200

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

584

Trichloroethane, 1,1,2PARAMETER

UNIT

VALUE

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

1,000

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

2,000/4H

Route of entry

Inh, Ing, Con

Ingestion

Harmful if swallowed.

Skin irritation

MAY BE ABSORBED! Dry skin.

Eye irritation

May cause eye irritation.

Inhalation

Harmful by inhalation

First aid: eyes

Flush immediately thoroughly with water for several minutes. Remove contact lenses, if present. If irritation persists, get medical attention.

First aid: skin

Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Get medical attention.

First aid: inhalation

Remove to fresh air. Respiratory support. Call for prompt medical attention.

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Aquatic toxicity, Bluegill sunfish, 96-h LC50 Aquatic toxicity Fathead minnow, 96-h LC50

mg l-1 mg l

Biodegradation probability

-

5% 28 days

Partition coefficient

logKow

1.89

Ozone depletion potential

CFC11=1

0.001

-1

40.2 4.8

USE & PERFORMANCE Recommended for products

Solvent for fats, oils, waxes, resins, other products; organic synthesis.

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

585

Trichloroethylene, 1,1,2PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Trichloroethylene, 1,1,2-

CAS #

-

79-01-6

IUPAC name

1,1,2-trichloroethene

Common name

ethylene trichloride

Acronym

-

TCE

Empirical formula

-

C2HCl3

Formula

HC C Cl Cl Cl

Molecular mass

daltons

131.39

RTECS number

-

KX4550000

Chemical category

-

halogenated

Mixture

-

N

EC number

-

201-167-4

-

L

PHYSICAL PROPERTIES State Odor

-

chloroform-like

Odor threshold

ppm

28.0

Color

-

colorless

Boiling point

o

C

86.7

Freezing point

o

C

-87.0

Refractive index at 20 C o

-

1.4750

Specific gravity

-

Specific gravity temperature

o

1.465

Vapor density

air=1

4.50

Vapor pressure

kPa

0.23

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

6.40

Evaporation rate

ether=1

3.0

Enthalpy of vaporization

kJ mol

31.40

Enthalpy of vaporization temperature

K

Polarity parameter, ET(30)

kcal mol-1

35.9

Molar volume

cm mol

90.1

Kauri butanol number

-

128

Coefficients of Antoine equation

coefficient A

3.55346

C

20

C

20

-1

360.4 3

-1

coefficient B

974.538

coefficient C

-85.811

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

586

Trichloroethylene, 1,1,2PARAMETER

UNIT

VALUE

Temperature range of Antoine equation

K

290.9 to 359.6

Viscosity

mPas (cP)

0.58

Viscosity temperature

o

Surface tension at 20oC

mN m-1

Solubility in water at 20 C

mg kg

Specific heat at 25 C

kJ K mol

Coefficient of thermal expansion

10-4 oC-1 (K-1)

11.10

Hildebrand solubility parameter

(MPa)1/2

19.02

dD

18.0

dP

3.1

o

o

Hansen solubility parameters, (MPa)

C

20

-1

1/2

32.0 1,099

-1

120.50

-1

dH

5.3

Henry’s law constant

atm/m -mol

Relative permittivity

-

3.42

Flammability

1

Health

2

Reactivity

0

3

-1

1.03E-02

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R45,R68,R67,R36/38,R52,R53

US safety phrases, S

S53,S45,S61

UN number

-

UN/NA hazard class

6.1

UN packaging group

III

1710

DOT class

6.1, III

ICAO/IATA class, packaging group

UN 1710 TRICHLOROETHYLENE, 6.1, III

IMDG class, packaging group

UN 1710 TRICHLOROETHYLENE, 6.1, III

Proper shipping name

trichloroethylene

Autoignition temperature

o

C

410

Explosion limit, lower

wt%

8.00

Explosion limit, upper

wt%

44.0

Threshold limiting value – TWA 8h, ACGIH

mg m

269

Threshold limiting value – TWA 8h, ACGIH

ppm

50

Threshold limiting value – TWA 8h, NIOSH

mg m-3

136

Threshold limiting value – TWA 8h, NIOSH

ppm

25

Threshold limiting value – TWA 8h, OSHA

ppm

Maximum exposure concentration NIOSH-IDLH

mg m

5,460

Maximum exposure concentration NIOSH-IDLH

ppm

1,000

-3

100 -3

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

587

Trichloroethylene, 1,1,2PARAMETER

UNIT

VALUE

Maximum concentration, any time, OSHA

ppm

200

Maximum concentration, 15 min., ACGIH

mg m-3

1,070

Maximum concentration, 15 min., ACGIH

ppm

200

Maximum concentration, 15 min., OSHA

ppm

Animal testing, acute toxicity, Rat oral LD50

200

mg kg

-1

5,650

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

-1

20,000

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

Route of entry

Inh, Ing, Con

Ingestion

Causes irritation to gastrointestinal tract.

Skin irritation

Cause irritation, redness and pain.

Eye irritation

Vapors may cause severe irritation with redness and pain.

Inhalation

Inhalation of vapors may cause irritate the respiratory tract. Causes depression of the central nervous system.

Target organs

RspSys,Hrt,Lvr,Kdny,CNS,Skin

Carcinogenicity IARC

2A

Carcinogenicity NTP

P

Mutagenic properties

Y

25,700/1H

ECOLOGICAL PROPERTIES Theoretical oxygen demand

g g-1

0.37

Bioconcentration factor

-

1.23

Biodegradation probability

-

weeks

Hydroxyl rate constant

cm3 molecule-1 s-1

2.36E-12

Montreal protocol

-

N

Partition coefficient

logKow

2.42

Urban ozone formation potential

C2H4=1

0.09

Soil absorption constant

-

2.02

UV absorption

nm

197

USE & PERFORMANCE Recommended for products

Designed for degreasing of light metal and for heavy duty use where there is high contamination. Not recommended for open cold cleaning applications

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

588

Trifluoromethane PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Trifluoromethane

CAS #

-

75-46-7

IUPAC name

fluoroform

Common name

R 23

Common synonym

methyl trifluoride

Acronym

-

TFMA

Empirical formula

-

CHF3

Formula

HCF3

Molecular mass

daltons

70.02

RTECS number

-

PB6900000

Chemical category

-

halogenated

Mixture

-

N

EC number

-

200-872-4

-

G

PHYSICAL PROPERTIES State Odor

-

none

Color

-

colorless

Boiling point

o

C

-82.0

Freezing point

o

C

-155.2

Refractive index at 20 C o

-

1.2150

Specific gravity

-

Specific gravity temperature

o

1.440

Vapor pressure

kPa

Vapor pressure temperature

o

Vapor density

air=1

Enthalpy of vaporization

kJ mol-1

16.71

Enthalpy of vaporization temperature

K

191.0

Corrosivity

-

Molar volume

cm mol

Coefficients of Antoine equation

coefficient A

4.25548

coefficient B

718.089

C

15 4836

C

20

N 3

48.6

-1

coefficient C

-22.013

Temperature range of Antoine equation

K

145.4 to 191.2

Solubility in water at 20oC

mg kg-1

Specific heat at 25 C

kJ K mol

o

-1

900 -1

51.55

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

589

Trifluoromethane PARAMETER

UNIT

VALUE

Thermal conductivity at 25oC

W m-1 K-1

0.0352

Hildebrand solubility parameter

(MPa)1/2

17.65

dD

14.4

dP

8.7

Hansen solubility parameters, (MPa)

1/2

dH

6.3

Henry’s law constant

atm/m -mol

Relative permittivity

-

1.01

Flammability

0

Health

1

Reactivity

0

Flammability

0

Health

1

Reactivity

0 1984/3136

3

1.01E-03

-1

HEALTH & SAFETY NFPA classification

HMIS classification

UN number

-

UN/NA hazard class

2.2

DOT class

2.2

TDG class

2.2

Proper shipping name

nonflammable gas, trifluoromethane (R-23)

Flash point

o

C

112.0

Explosion limit, upper

wt%

35.30

Route of entry

Inh

Skin irritation

May be slightly irritating

Eye irritation

May be slightly irritating

Inhalation

May be slightly irritating

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

Mutagenic properties

Y

ECOLOGICAL PROPERTIES Theoretical oxygen demand

g g-1

0.23

Bioconcentration factor

-

0.26

Biodegradation probability

-

Hydroxyl rate constant

cm molecule s

2.40E-16

Montreal protocol

-

N

Partition coefficient

logKow

0.64

days-weeks 3

-1

-1

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

590

Trifluoromethane PARAMETER

UNIT

VALUE

Ozone depletion potential

CFC11=1

0

Urban ozone formation potential

C2H4=1

0

Soil absorption constant

-

1.54

UV absorption

nm

<200

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

591

Trifluorotoluene, alpha, alpha, alpha PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Trifluorotoluene, alpha, alpha, alpha

CAS #

-

98-08-8

IUPAC name

trifluoromethylbenzene

Common name

benzotrifluoride

Common synonym

BTF

Acronym

-

AAATFT

Empirical formula

-

C7H5F3

Formula

F F F

Molecular mass

daltons

146.11

RTECS number

-

XT9450000

Chemical category

-

halogenated

EC number

-

202-635-0

Product contents

Trifluoromethylbenzene >98.0 wt%

PHYSICAL PROPERTIES State

-

L

Odor

-

aromatic

Color

-

colorless

Boiling point

o

C

102

Freezing point

o

C

-29

Refractive index at 20 C o

-

1.4140

Specific gravity

-

Specific gravity temperature

o

1.189

Vapor density

air=1

5.04

Vapor pressure

kPa

5.17

Vapor pressure temperature

o

Enthalpy of vaporization

kJ mol

Enthalpy of vaporization temperature

K

375.2

Molar volume

cm3 mol-1

122.9

Coefficients of Antoine equation

coefficient A

4.09418

coefficient B

1305.612

coefficient C

-55.858

Temperature range of Antoine equation

K

328.0 to 412.3

Solubility in water at 20oC

mg kg-1

insoluble

C

0

C

25 -1

32.63

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

592

Trifluorotoluene, alpha, alpha, alpha PARAMETER

UNIT

VALUE

Hansen solubility parameters, (MPa)1/2

dD

17.5

dP

8.8

dH

0.0

Henry’s law constant

atm/m3-mol-1

1.72E+03

Relative permittivity

-

8.2

Flammability

3

Health

3

Reactivity

1

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R11,R52/53

US safety phrases, S

S16,S23,S61

UN number

-

UN/NA hazard class

3

UN packaging group

II

2338

DOT class

UN 2338 BENZOTRIFLUORIDE, 3, II

ICAO/IATA class, packaging group

UN 2338 BENZOTRIFLUORIDE, 3, II

IMDG class, packaging group

UN 2338 BENZOTRIFLUORIDE, 3, II

Proper shipping name

benzotrifluoride

Autoignition temperature

o

C

620

Flash point

o

C

12

Flash point method

-

CC

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

15,000

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

70,810/4H

Route of entry

Inh

Ingestion

Harmful if swallowed.

Skin irritation

Causes skin irritation.

Eye irritation

Harmful to eye. Causes redness, pain, & blurred vision.

Inhalation

Inhalation of vapor can irritate respiratory tract. Causes central nervous system effects.

First aid: eyes

Flush immediately thoroughly with water for several minutes. Remove contact lenses, if present. If irritation persists, get medical attention.

First aid: skin

Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Get medical attention.

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

593

Trifluorotoluene, alpha, alpha, alpha PARAMETER

UNIT

VALUE

First aid: inhalation

Remove to fresh air. Respiratory support. Call for prompt medical attention.

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Aquatic toxicity, Daphnia magna, 48-h LC50

mg l-1

3.1

Partition coefficient

logKow

3.01

USE & PERFORMANCE Manufacturer

Arum Pharmatech, Fluorochem

Potential substitute for

dichloroethane

Recommended for products

Solvent, agent in dielectric fluids

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

594

3.13 Heterocyclic Butyrolactone, gammaPARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Butyrolactone, gamma-

CAS #

-

96-48-0

IUPAC name

oxolan-2-one

Common name

4-butyrolactone

Common synonym

tetrahydro-2-furanone

Acronym

-

GBL

Empirical formula

-

C4H6O2

Formula

O O Molecular mass

daltons

86.1

RTECS number

-

LU3500000

Chemical category

-

heterocyclic

Mixture

-

N

EC number

-

202-509-5

PHYSICAL PROPERTIES State

-

L

Odor

-

caramel

Odor threshold

ppm

20-50

Color

-

colorless

Boiling point

o

C

Freezing point

o

C

Refractive index at 20oC

-

1.4350

Specific gravity

-

1.120

Specific gravity temperature

o

Vapor density

air=1

2.97

Vapor pressure

kPa

1.02

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

0.03

Enthalpy of vaporization

kJ mol-1

52.50

Enthalpy of vaporization temperature

K

298.2

Acceptor number

-

Donor number

kcal mol

-1

Polarity parameter, ET(30)

kcal mol

-1

Corrosivity

-

Y

Molar volume

cm3 mol-1

76.5

204.0 -44.0

C

25

C

20

17.3 18.0 44.3

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595

3.13 Heterocyclic Butyrolactone, gammaPARAMETER

UNIT

Viscosity

mPas (cP)

Viscosity temperature

o

Surface tension at 20oC

mN m-1

40.43

Solubility in water at 20oC

mg kg-1

infinite

Heat of combustion at 25 C

MJ kg

Specific heat at 25 C

kJ K mol

Coefficient of thermal expansion

10-4 oC-1 (K-1)

7.47

Hildebrand solubility parameter

(MPa)1/2

25.77

dD

18.0

dP

16.6

o

o

Hansen solubility parameters, (MPa)

VALUE 25

22.10

-1

-1

1/2

1.7

C

141.42

-1

dH

7.4

Henry’s law constant

atm/m -mol

Relative permittivity

-

39.0

Flammability

1

Health

1

Reactivity

0

Flammability

1

Health

2

Reactivity

0

3

1.81E-05

-1

HEALTH & SAFETY NFPA classification

HMIS classification

UN risk phrases, R

R22,R36

ICAO/IATA class, packaging group

not regulated

Autoignition temperature

o

C

455

Flash point

o

C

98

Flash point method

-

OC

Explosion limit, lower

wt%

3.60

Explosion limit, upper

wt%

Animal testing, acute toxicity, Rat oral LD50

16.00 -1

mg kg

1,540

Animal testing, acute toxicity, Mouse oral LD50

mg kg

-1

1,460

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

5,000

Route of entry

Inh, Ing

Skin irritation

Causes skin irritation

Eye irritation

Causes eye irritation

Inhalation

May cause respiratory tract irritation

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

596

3.13 Heterocyclic Butyrolactone, gammaPARAMETER

UNIT

VALUE

First aid: eyes

Remove any contact lenses. In case of contact, immediately flush eyes with plenty of water for at least 15 minutes. Cold water may be used

First aid: skin

Wash with soap and water. Cover the irritated skin with an emollient. Get medical attention if irritation develops

First aid: inhalation

If inhaled, remove to fresh air. If not breathing, give artificial respiration

Chronic effects

Slightly hazardous in case of skin contact (permeator)

Target organs

CNS,RspSys, Skin

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

Mutagenic properties

Y

ECOLOGICAL PROPERTIES Theoretical oxygen demand

g g-1

1.67

Bioconcentration factor

-

-0.70

Biodegradation probability

-

days-weeks

Hydroxyl rate constant

cm3 molecule-1 s-1

2.41E-12

Montreal protocol

-

N

Partition coefficient

logKow

-0.57

Urban ozone formation potential

C2H4=1

0.06

Soil absorption constant

-

0.85

UV absorption

nm

209 (MeOH)

USE & PERFORMANCE Manufacturer

Sigma-Aldrich, Spectrum Laboratory Products, LyondellBasell

Potential substitute for

chlorinated hydrocarbons

Recommended for polymers

Solvent for PAN, CA, PMMA, PS, PVC

Recommended for products

paints, resins, paint removers, nail polish removers, petroleum processing, pharmaceuticals, dissociating solvent for nonaqueous capacitors, photoresist stripper

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

597

Dioxane, 1,4PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Dioxane, 1,4-

CAS #

-

123-91-1

IUPAC name

1,4-dioxane

Common name

1,4-diethylene dioxide

Common synonym

glycolethylether

Empirical formula

-

C4H8O2

Formula

O

O

Molecular mass

daltons

88.12

RTECS number

-

JG8225000

Chemical category

-

heterocyclic

Mixture

-

N

EC number

-

204-661-8

-

L

PHYSICAL PROPERTIES State Odor

-

ether-like

Odor threshold

ppm

24.0

Color

-

colorless to yellow

Boiling point

o

C

101.3

Freezing point

o

C

12.0

Refractive index at 20 C o

-

1.4200

Specific gravity

-

Specific gravity temperature

o

1.028

Vapor density

air=1

3.00

Vapor pressure

kPa

5.08

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

2.42

Enthalpy of vaporization

kJ mol-1

34.16

Enthalpy of vaporization temperature

K

374.5

Acceptor number

-

10.8

Donor number

kcal mol-1

14.8

Polarity parameter, ET(30)

kcal mol

36.0

C

25

C

25

Acid dissociation constant

-

Corrosivity

-

Molar volume

cm mol

-1

-2.92 N 3

-1

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85.7 598

Dioxane, 1,4PARAMETER

UNIT

Coefficients of Antoine equation

VALUE

coefficient A

4.58135

coefficient B

1570.093

coefficient C

-31.297

Temperature range of Antoine equation

K

293.0 to 378.0

Viscosity

mPas (cP)

1.087

Viscosity temperature

o

Surface tension at 20oC

mN m-1

C

30 32.80

Heat of combustion at 25 C

MJ kg

Specific heat at 25 C

kJ K mol

Coefficient of thermal expansion

10-4 oC-1 (K-1)

10.8

Hildebrand solubility parameter

(MPa)1/2

20.72

dD

17.5

dP

1.8

o

o

Hansen solubility parameters, (MPa)

-1

1/2

27.41

-1

150.67

-1

dH

9.0

Henry’s law constant

atm/m -mol

Relative permittivity

-

2.21

Flammability

3

Health

2

Reactivity

1

3

-1

4.80E-06

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R11,R19,R40,R36/37,R66

US safety phrases, S

S9,S16,S36/37,S46

UN number

-

UN/NA hazard class

3

UN packaging group

II

1165

DOT class

3, II

ICAO/IATA class, packaging group

UN 1165 DIOXANE, 3, II

IMDG class, packaging group

UN 1165 DIOXANE, 3, II

Proper shipping name

dioxane

Autoignition temperature

o

C

180

Flash point

o

C

12

Flash point method

-

CC

Explosion limit, lower

wt%

2.00

Explosion limit, upper

wt%

22.00

Threshold limiting value – TWA 8h, ACGIH

mg m-3

90

Threshold limiting value – TWA 8h, ACGIH

ppm

25

Threshold limiting value – TWA 8h, OSHA

mg m

-3

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

360 599

Dioxane, 1,4PARAMETER

UNIT

VALUE

Threshold limiting value – TWA 8h, OSHA

ppm

100

Maximum exposure concentration NIOSH-IDLH

mg m-3

7,320

Maximum exposure concentration NIOSH-IDLH

ppm

500

Maximum concentration, any time, NIOSH

mg m-3

3.6

Maximum concentration, any time, NIOSH

ppm

1

Animal testing, acute toxicity, Rat oral LD50

mg kg

-1

5,700

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

7,600

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

12,763/2H

Route of entry

Inh, Abs, Ing, Con

Target organs

Lvr,Kdny,Skin,Eye

Carcinogenicity IARC

2B

Carcinogenicity NTP

P

Mutagenic properties

Y

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

0.00

Theoretical oxygen demand

gg

Bioconcentration factor

-

Biodegradation probability

-

Hydroxyl rate constant

cm molecule s

1.09E-11

Montreal protocol

-

N

Partition coefficient

logKow

-0.27

1.09

-1

-0.40 days-weeks 3

-1

-1

Urban ozone formation potential

C2H4=1

0.35

Soil absorption constant

-

1.23

UV absorption

nm

180

USE & PERFORMANCE Manufacturer

BASF AG, Sigma-Aldrich

Recommended for products

Pharmaceutical industry

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

600

Dioxolane, 1,3PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Dioxolane, 1,3-

CAS #

-

646-06-0

IUPAC name

1,3-dioxolane

Common name

glycol methylene ether

Common synonym

formaldehyde ethylene acetal

Empirical formula

-

C3H6O2

Formula

O O

Molecular mass

daltons

74.09

RTECS number

-

JH6760000

Chemical category

-

heterocyclic

Mixture

-

N

EC number

-

211-463-5

PHYSICAL PROPERTIES State

-

L

Odor

-

ether like

Color

-

colorless

Boiling point

o

C

74.0

Freezing point

o

C

-26.0

Refractive index at 20 C

-

1.3990

Specific gravity

-

1.064

Specific gravity temperature

o

Vapor density

air=1

2.55

Vapor pressure

kPa

11

Vapor pressure temperature

o

o

C

15

C

25

Donor number

kcal mol

-1

21.2

Polarity parameter, ET(30)

kcal mol-1

43.1

Molar volume

cm mol

69.9

Coefficients of Antoine equation

coefficient A

4.11859

coefficient B

1237.377

3

-1

coefficient C

-48.735

K

280.9 to 355.2

Viscosity

mPas (cP)

0.6

Viscosity temperature

o

Temperature range of Antoine equation

C

25

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

601

Dioxolane, 1,3PARAMETER

UNIT

VALUE

Heat of combustion at 25oC

MJ kg-1

23.77

Hildebrand solubility parameter

(MPa)1/2

21.40

dD

18.1

dP

6.6

dH

9.3

Flammability

3

Health

2

Reactivity

3

Hansen solubility parameters, (MPa)

1/2

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R11

US safety phrases, S

S16

UN number

-

UN/NA hazard class

3

UN packaging group

II

TDG class

UN 1166 DIOXANE 3, II Flash point - 6oC

ICAO/IATA class, packaging group

UN 1166 DIOXOLANE, 3, II

1166

IMDG class, packaging group

UN 1166 DIOXOLANE, 3, II

Proper shipping name

dioxanole

Flash point

o

Threshold limiting value – TWA 8h, ACGIH

ppm

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

3,000

Animal testing, acute toxicity, Mouse oral LD50

mg kg

-1

3,200

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

8,480

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

32,000/4H

Route of entry

Inh, Abs, Ing, Con

Skin irritation

Causes skin irritation

Eye irritation

Causes eye irritation

Inhalation

Causes respiratory tract irritation

Target organs

Blood, Kdny, Lvr,Eyes,CNS

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

C

-6.0 20

ECOLOGICAL PROPERTIES Montreal protocol

-

N

Partition coefficient

logKow

-0.37

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

602

Dioxolane, 1,3PARAMETER

UNIT

VALUE

USE & PERFORMANCE Manufacturer

Brenntag NV, Sigma-Aldrich, TCI America, Jiangsu Senxuan Pharmaceutical, Chemical Co., Ltd.

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

603

Ethyl-2-pyrrolidone, NPARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Ethyl-2-pyrrolidone, N-

CAS #

-

2687-91-4

IUPAC name

1-ethylpyrrolidin-2-one

Common name

1-ethyl-2-pyrrolidone

Common synonym

N-ethylpyrrolidinone

Empirical formula

-

Formula

C6H11NO

NCH2CH3 O

Molecular mass

daltons

113.16

RTECS number

-

UY5769250

Chemical category

-

heterocyclic

Mixture

-

N

EC number

-

220-250-6

Product contents

n-ethyl-2-pyrrolidone >=98 wt%

PHYSICAL PROPERTIES State

-

L

Color

-

colorless

Boiling point

o

C

212.0

Freezing point

o

C

-77.0

Specific gravity

-

0.998

Corrosivity

-

Y

Molar volume

cm3 mol-1

113.9

Viscosity

mPas (cP)

Viscosity temperature

o

Hansen solubility parameters, (MPa)1/2

dD

18.0

dP

12.0

dH

7.0

Flammability

2

Health

2

Reactivity

0

Flammability

2

Health

2

Reactivity

0

C

3.5 25

HEALTH & SAFETY NFPA classification

HMIS classification

UN risk phrases, R

R41,R36/37/38

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604

Ethyl-2-pyrrolidone, NPARAMETER

UNIT

VALUE

US safety phrases, S

S26,S39

UN/NA hazard class

6.1

UN packaging group

III

DOT class

non-hazardous for transportation

TDG class

non-hazardous for transportation

Flash point

o

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

Route of entry

Ing, Eye, Skin

Ingestion

Harmful if swallowed

Eye irritation

Causes serious eye irritation

Inhalation

May cause respiratory tract irritation.

First aid: eyes

Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

C

93 1350

ECOLOGICAL PROPERTIES Montreal protocol

-

N

Partition coefficient

logKow

-0.04

USE & PERFORMANCE Manufacturer

BASF AG, TCI America

Outstanding properties

Highly polar organic solvent is completely miscible with water

Potential substitute for

N-Methylpyrrolidone (NMP)

Recommended for polymers

dissolves many plastics like PVP, PES

Recommended for products

Coatings, cleaning applications

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

605

Furan PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Furan

CAS #

-

110-00-9

IUPAC name

furan

Common name

divinylene oxide

Common synonym

furfuran

Empirical formula

-

C4H4O

Formula

O Molecular mass

daltons

68.08

RTECS number

-

LT8524000

Chemical category

-

heterocyclic

Mixture

-

N

EC number

-

203-727-3

Product contents

furan >99%,

PHYSICAL PROPERTIES State

-

L

Odor

-

characteristic

Color

-

colorless

Boiling point

o

C

31.3

Freezing point

o

C

-85.6

Refractive index at 20 C o

-

1.4207

Specific gravity

-

Specific gravity temperature

o

0.94

Vapor density

air=1

2.3

Vapor pressure

kPa

67

Vapor pressure temperature

o

C

20

C

20

Enthalpy of vaporization

kJ mol

Enthalpy of vaporization temperature

K

27.1

Acceptor number

-

Donor number

kcal mol

Polarity parameter, ET(30)

kcal mol-1

36.0

Molar volume

cm mol

73.1

Coefficients of Antoine equation

coefficient A

4.10003

coefficient B

1060.801

coefficient C

-45.416

-1

304.5 3.3

3

-1

-1

6.0

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

606

Furan PARAMETER

UNIT

VALUE

Temperature range of Antoine equation

K

275.7 to 334.6

Viscosity

mPas (cP)

0.38

Viscosity temperature

o

Solubility in water at 20oC

mg kg-1

Heat of combustion at 25 C

MJ kg

Coefficient of thermal expansion

10

Hildebrand solubility parameter

(MPa)1/2

18.27

dD

17.0

dP

1.8

o

Hansen solubility parameters, (MPa)

1/2

C

25

-4 o

10,000 33.38

-1

C (K ) -1

14.9

-1

dH

5.3

Henry’s law constant

atm/m -mol

Relative permittivity

-

3.0

Flammability

4

Health

1

Reactivity

1

3

5.38E-03

-1

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R12,R19,R45,R68,R20/22,R48/22,R38, R52,R53

US safety phrases, S

S53,S45,S61

UN number

-

2389

UN/NA hazard class

3

UN packaging group

I

ICAO/IATA class, packaging group

forbidden

IMDG class, packaging group

UN 2389 FURAN, 3, I

Proper shipping name

furan

Autoignition temperature

o

C

390

Flash point

o

C

-36

Explosion limit, lower

wt%

2.3

Explosion limit, upper

wt%

14.3

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

240

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

3,398/1H

Route of entry

Ing, Inh, Con

Ingestion

Harmful if swallowed

Skin irritation

Causes skin irritation

Eye irritation

Causes aye irritation

Inhalation

Harmful if inhaled

Carcinogenicity IARC

2B

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

607

Furan PARAMETER

UNIT

VALUE

Carcinogenicity NTP

P

ECOLOGICAL PROPERTIES Aquatic toxicity Fathead minnow, 96-h LC50

mg l-1

61

Montreal protocol

-

N

Partition coefficient

logKow

1.34

USE & PERFORMANCE Recommended for products

pharmaceuticals, insecticides, solvent for resins

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

608

Methylpyrrolidone, NPARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Methylpyrrolidone, N-

CAS #

-

872-50-4

IUPAC name

1-methylpyrrolidin-2-one

Common name

N-methyl-2-pyrrolidone

Acronym

-

NMP

Empirical formula

-

C5H9NO

Formula

O CH3 Molecular mass

daltons

99.15

RTECS number

-

UY5790000

Chemical category

-

heterocyclic

Mixture

-

N

EC number

-

212-828-1

Product contents

methylpyrrolidone, N- >99.8 wt%, pyrrolidone, dimethyl <0.4 wt%

PHYSICAL PROPERTIES State

-

L

Odor

-

amine-like, mild

Color

-

colorless

Boiling point

o

C

202.0

Freezing point

o

C

-24.40

Refractive index at 20 C o

-

1.4700

Specific gravity

-

Specific gravity temperature

o

1.030

Vapor density

air=1

3.40

Vapor pressure

kPa

0.032

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

0.06

Enthalpy of vaporization

kJ mol-1

52.90

Enthalpy of vaporization temperature

K

bp

Acceptor number

-

13.3

Donor number

kcal mol-1

27.3

Polarity parameter, ET(30)

kcal mol

-1

42.2

Molar volume

cm mol

-1

96.6

C

20

C

20

3

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

609

Methylpyrrolidone, NPARAMETER

UNIT

VALUE

Coefficients of Antoine equation

coefficient A

8.2789

coefficient B

2570.3

coefficient C

273.15

pH

-

7.2

Viscosity

mPas (cP)

1.666

Viscosity temperature

o

Surface tension at 20oC

mN m-1

40.70

Solubility in water at 20 C

mg kg

-1

infinite

Heat of combustion at 25 C

MJ kg

-1

30.22

Specific heat at 25oC

kJ K-1 mol-1

166.10

Coefficient of thermal expansion

10

7.61

Hildebrand solubility parameter

(MPa)

Hansen solubility parameters, (MPa)1/2

dD

18.0

dP

12.3

o

o

C

25

-4 o

C (K ) -1

-1

1/2

23.11

dH

7.2

Henry’s law constant

atm/m3-mol-1

1.56E-08

Relative permittivity

-

32.20

Flammability

2

Health

2

HEALTH & SAFETY NFPA classification

HMIS classification

UN risk phrases, R

Reactivity

0

Flammability

2

Health

2

Reactivity

0

R36/38

US safety phrases, S

S41

UN/NA hazard class

not regulated

DOT class

not regulated

Autoignition temperature

o

C

245

Flash point

o

C

92

Flash point method

-

CC

Explosion limit, lower

wt%

1.30

Explosion limit, upper

wt%

9.50

Threshold limiting value – TWA 8h, ACGIH

mg m

412

Threshold limiting value – TWA 8h, ACGIH

ppm

100

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

4,150

Animal testing, acute toxicity, Mouse oral LD50

mg kg

5,130

-3

-1

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

610

Methylpyrrolidone, NPARAMETER

UNIT

VALUE

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

8,000

Route of entry

Con, Ing

Ingestion

May cause gastrointestinal irritation with nausea, vomiting & diarrhea.

Skin irritation

Causes skin irritation.

Eye irritation

Causes eye irritations.

Inhalation

May cause respiratory tract irritation.

First aid: eyes

Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid

First aid: skin

Wash off immediately with soap and plenty of water removing all contaminated clothes and shoes . If symptoms persist call a physician.

First aid: inhalation

Move person to fresh air. Give artificial respiration if not breathing. Call a physician immediately or poison center

Target organs

Skin,Eye,CNS

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

Mutagenic properties

Y

ECOLOGICAL PROPERTIES Theoretical oxygen demand

g g-1

1.05

Aquatic toxicity, Daphnia magna, 48-h LC50

mg l

>1,000/24H

-1

Bioconcentration factor

-

-0.30

Biodegradation probability

-

73% 28 days

Hydroxyl rate constant

cm3 molecule-1 s-1

2.05E-11

Montreal protocol

-

N

Partition coefficient

logKow

-0.46

Urban ozone formation potential

C2H4=1

0.21

Soil absorption constant

-

1.32

UV absorption

nm

<262

USE & PERFORMANCE Recommended for products

Solvent for acrylic and epoxy resins, polyurethane paints, waterborne paints or finishes, printing inks, cleaning agent for silicon wafers

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

611

Morpholine PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Morpholine

CAS #

-

110-91-8

IUPAC name

morpholine

Common name

tetrahydro-1,4-oxazine

Common synonym

diethylene oximide

Empirical formula

-

C4H9NO

Formula

O

N H

Molecular mass

daltons

87.12

RTECS number

-

QD6475000

Chemical category

-

heterocyclic

Mixture

-

N

EC number

-

203-815-1

Moisture content

wt%

0.3

Product contents

99 wt%

PHYSICAL PROPERTIES State

-

L

Odor

-

amide

Color

-

colorless

Boiling point

o

C

128.3

Freezing point

o

C

-4.90

Refractive index at 20 C

-

1.4545

Specific gravity

-

1.001

Specific gravity temperature

o

Vapor density

air=1

3.00

Vapor pressure

kPa

0.933

Vapor pressure temperature

o

Acceptor number

-

17.5

Polarity parameter, ET(30)

kcal mol-1

41.0

Acid dissociation constant

-

5.64

Corrosivity

-

Molar volume

cm mol

Coefficients of Antoine equation

coefficient A

7.1603

coefficient B

1447.7

coefficient C

210

o

C

20

C

20

Y 3

-1

87.5

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

612

Morpholine PARAMETER

UNIT

VALUE

pH

-

11.0

Viscosity

mPas (cP)

2.23

Viscosity temperature

o

Surface tension at 20oC

mN m-1

Solubility in water at 20 C

mg kg

Coefficient of thermal expansion

10

Hildebrand solubility parameter

(MPa)1/2

21.40

dD

18.8

dP

4.9

o

Hansen solubility parameters, (MPa)

1/2

C

25

-4 o

37.50 infinite

-1

C (K ) -1

-1

dH

9.21

11.0

Henry’s law constant

atm/m -mol

Relative permittivity

-

7.18

Flammability

3

Health

3

Reactivity

0

3

-1

2.35E-07

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R10,R20/21/22,R34

US safety phrases, S

S23,S36,S45

UN number

-

UN/NA hazard class

8

UN packaging group

I

ICAO/IATA class, packaging group

UN 2054 MORPHOLINE, 8 (3), I

2054

IMDG class, packaging group

UN 2054 MORPHOLINE, 8 (3), I

Proper shipping name

morpholine

Autoignition temperature

o

C

Flash point

o

C

Flash point method

-

TCC

Explosion limit, lower

wt%

1.80

Explosion limit, upper

wt%

11.20

Threshold limiting value – TWA 8h, ACGIH

mg m-3

71

Threshold limiting value – TWA 8h, ACGIH

ppm

20

310 35

Threshold limiting value – TWA 8h, OSHA

mg m

70

Threshold limiting value – TWA 8h, OSHA

ppm

20

Maximum exposure concentration NIOSH-IDLH

ppm

1,400

Maximum concentration, 15 min., OSHA

ppm

Animal testing, acute toxicity, Rat oral LD50

mg kg

-3

30 -1

1,050

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

613

Morpholine PARAMETER

UNIT

VALUE

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

1,210

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

8,000/4H

Route of entry

Ing, Inh, Skin

Ingestion

Ingestion may cause abdominal pain.

Skin irritation

MAY BE ABSORBED!

Eye irritation

Causes eye burns.

Inhalation

Inhalation produces burning sensation &. cough.

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Biological oxygen demand, 20 days

g g-1

0.10

Theoretical oxygen demand

gg

2.60

Aquatic toxicity, Daphnia magna, 96-h LC50

mg l-1

119

Montreal protocol

-

N

Partition coefficient

logKow

-0.86

-1

USE & PERFORMANCE Recommended for products

corrosion inhibitor in boiler system, viscosity improver

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

614

Octyl-2-2pyrrolidone, 1PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Octyl-2-pyrrolidone, 1-

CAS #

-

2687-94-7

IUPAC name

1-octylpyrrolidin-2-one

Common name

pyrrolidinone, 1-octyl-

Common synonym

1-octylpyrrolidin-2-one

Empirical formula

-

Formula

C12H23NO

O N

Molecular mass

daltons

197.322

RTECS number

-

UY5896000

EC number

-

403-700-8

Product contents

98-99.9 wt%

PHYSICAL PROPERTIES State

-

viscous liquid

Odor

-

amine-like

Color

-

colorless to yellow

Boiling point

o

C

306-307

Freezing point

o

C

-26

Refractive index at 20 C

-

1.465

Specific gravity

-

0.92

Vapor pressure

mbar

0.0008

Vapor pressure temperature

o

pH

-

9.1

Viscosity

mPas (cP)

8.38

Viscosity temperature

o

Solubility in water at 20oC

mg kg-1

1000 3267

o

C

C

20

20

HEALTH & SAFETY UN number

-

UN/NA hazard class

8

UN packaging group

II

TDG class

8, II, UN 3267, CORROSIVE LIQUID, BASIC, ORGANIC, N.O.S. (contains 1OCTYL-2-PYRROLIDINONE)

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

615

Octyl-2-2pyrrolidone, 1PARAMETER

UNIT

VALUE

ICAO/IATA class, packaging group

8, II, UN 3267, CORROSIVE LIQUID, BASIC, ORGANIC, N.O.S. (contains 1OCTYL-2-PYRROLIDINONE)

IMDG class, packaging group

8, II, UN 3267, CORROSIVE LIQUID, BASIC, ORGANIC, N.O.S. (contains 1OCTYL-2-PYRROLIDINONE)

Autoignition temperature

o

C

Flash point

o

C

Animal testing, acute toxicity, Rat oral LD50

225 142

mg kg

-1

>2,200

Animal testing, acute toxicity, Rat dermal LD50

mg kg

-1

>4,000

First aid: eyes

In case of contact with the eyes, rinse immediately for at least 15 minutes with plenty of water. Immediate medical attention required.

First aid: skin

Wash affected areas thoroughly with soap and water. Remove contaminated clothing. If irritation develops, seek medical attention.

First aid: inhalation

Keep patient calm, remove to fresh air. Assist in breathing if necessary. Consult a physician.

Mutagenic properties

N

Reproduction/developmental toxicity

N

ECOLOGICAL PROPERTIES Aquatic toxicity, Daphnia magna, 48-h LC50

mg l-1

7.59

Bioconcentration factor

-

2.5-32.9

Biodegradation probability

readily biodegradable

Partition coefficient

logKow

3.3-4.15

Manufacturer

-

BASF

Recommended for products

Surfactants, intermediates, solvents, laundry, dishwashing, hair conditioning, electronics

USE & PERFORMANCE

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

616

Picoline, 3PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Picoline, 3-

CAS #

-

108-99-6

IUPAC name

3-methylpyridine

Common name

3-methylpirydine

Empirical formula

-

C6H7N

Formula

N Molecular mass

daltons

93.13

RTECS number

-

TJ5000000

Chemical category

-

heterocyclic

Mixture

-

N

EC number

-

203-636-9

Product contents

3-Picoline, 100 wt%

PHYSICAL PROPERTIES State

-

L

Odor

-

characteristic

Color

-

colorless

Boiling point

o

C

144

Freezing point

o

C

-18.3

Refractive index at 20 C

-

1.504

Specific gravity

-

0.96

Specific gravity temperature

o

Vapor density

air=1

3.2

Vapor pressure

kPa

0.81

Vapor pressure temperature

o

o

C

20

C

25 37.35

Enthalpy of vaporization

kJ mol

Enthalpy of vaporization temperature

K

417.3

Corrosivity

-

N

Molar volume

cm3 mol-1

100.1

Coefficients of Antoine equation

coefficient A

4.17879

Temperature range of Antoine equation

-1

coefficient B

1484.307

coefficient C

-61.606

K

347.2 to 457.7

Viscosity

mPas (cP)

Viscosity temperature

o

C

0.87 25

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

617

Picoline, 3PARAMETER

UNIT

Solubility in water at 20oC

mg kg-1

miscible

Coefficient of thermal expansion

10-4 oC-1 (K-1)

9.68

Hildebrand solubility parameter

(MPa)1/2

20.52

Hansen solubility parameters, (MPa)1/2

dD

18.9

dP

6.7

Henry’s law constant

VALUE

dH

4.4

atm/m3-mol-1

7.22E-06

Flammability

2

Health

3

Reactivity

0

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R10,R20/21/22,R36/37

US safety phrases, S

S26,S36

UN number

-

2313

UN/NA hazard class

3

UN packaging group

III

DOT class

3, III

ICAO/IATA class, packaging group

UN 2313 PICOLINES, 3, III

IMDG class, packaging group

UN 2313 PICOLINES, 3, III

Proper shipping name

picolines

Autoignition temperature

o

C

488

Flash point

o

C

37

Flash point method

-

TCC

Explosion limit, lower

wt%

1.3

Explosion limit, upper

wt%

8.7

Animal testing, acute toxicity, Rat oral LD50

mg kg

400

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

200-1,000

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

8,700/2H

Route of entry

Intraperitoneal, Ing, Skin

Ingestion

Harmful if swallowed.

Skin irritation

MAY BE ABSORBED THROUGH SKIN!

Eye irritation

Irritating to eyes.

Inhalation

Irritating to respiratory system.

First aid: eyes

IMMEDIATELY flush eyes with a directed stream of water for at least 15 minutes. Get medical aid.

-1

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

618

Picoline, 3PARAMETER

UNIT

VALUE

First aid: skin

Remove contaminated clothing. Flush exposed area for 20 min with water. Seek medical attention if irritation persists.

First aid: inhalation

Remove contaminated clothing. Flush exposed area for 20 min with water. Seek medical attention if irritation persists.

Target organs

kin, Eye, RspSys

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Aquatic toxicity Fathead minnow, 96-h LC50

mg l-1

144

Montreal protocol

-

N

Partition coefficient

logKow

1.2

USE & PERFORMANCE Recommended for products

Process solvent. Intermediate in dye and resins industries.

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

619

Piperazine PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Piperazine

CAS #

-

110-85-0

IUPAC name

piperazine

Common name

Diethylenediamine

Common synonym

1,4-Diazacyclohexane

Empirical formula

-

C4H10N2

Formula

H N

N H

Molecular mass

daltons

86.138

RTECS number

-

TK7800000

Chemical category

-

amine

EC number

-

203-808-3

PHYSICAL PROPERTIES State

-

S

Odor

-

amine

Color

-

white to off-white

Boiling point

o

C

146

Freezing point

o

C

106

Refractive index at 113 C

-

1.446

Specific gravity

-

1.1

Specific gravity temperature

o

Vapor density

air=1

3

Vapor pressure

kPa

0.021

Vapor pressure temperature

o

Acid dissociation constant

-

pH

-

o

Solubility in water at 20 C o

C

20

C

mg kg

20 9.73 10.8-11.8 -1

1,000,000

HEALTH & SAFETY UN number

-

Autoignition temperature

o

2579

C

Flash point

o

C

Flash point method

-

COC

Explosion limit, lower

wt%

4

Explosion limit, upper

wt%

Animal testing, acute toxicity, Rat oral LD50

mg kg

320 65-107

14 -1

2,050-4,900

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

620

Piperazine PARAMETER

UNIT

VALUE

Animal testing, acute toxicity, Mouse oral LD50

mg kg-1

6,200-22,350

Montreal protocol

-

N

Partition coefficient

logKow

-0.8 to -1.5

ECOLOGICAL PROPERTIES

USE & PERFORMANCE Recommended for products

medical solvent, corrosion inhibitor, paint additive, gas washer liquid

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

621

Piperidine PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Piperidine

CAS #

-

110-89-4

IUPAC name

piperidine

Common name

hexahydropyridine

Common synonym

pentamethyleneimine

Empirical formula

-

C5H11N

Formula

N H Molecular mass

daltons

85.15

RTECS number

-

TM3500000

Chemical category

-

heterocyclic

Mixture

-

N

EC number

-

203-813-0

State

-

L

Odor

-

fishy, ammoniacal

Color

colorless to pale yellow

Boiling point

o

C

Freezing point

o

C

Refractive index at 20oC

-

1.4520

Specific gravity

-

0.862

Specific gravity temperature

o

Vapor density

air=1

3.00

Vapor pressure

kPa

0.4

Vapor pressure temperature

o

Acceptor number

-

Donor number

kcal mol-1

Polarity parameter, ET(30)

kcal mol

Corrosivity

-

Y

Molar volume

cm3 mol-1

99.3

Coefficients of Antoine equation

coefficient A

3.98189

coefficient B

1239.577

PHYSICAL PROPERTIES

106.0 -9.0

C

25

C

20 9.2 -1

51.0 35.5

coefficient C

-67.622

Temperature range of Antoine equation

K

315.5 to 416.8

Viscosity

mPas (cP)

1.36

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

622

Piperidine PARAMETER

UNIT

Viscosity temperature

o

VALUE

C

25

Solubility in water at 20 C

mg kg-1

Coefficient of thermal expansion

10

Hildebrand solubility parameter

(MPa)1/2

17.47

dD

17.3

dP

4.5

dH

8.2

-

5.90

Flammability

3

Health

2

o

Hansen solubility parameters, (MPa)

1/2

Relative permittivity

-4 o

miscible

C (K ) -1

-1

10.40

HEALTH & SAFETY NFPA classification

HMIS classification

Reactivity

0

Flammability

3

Health

2

Reactivity

0

UN risk phrases, R

R11,R23/24,R34

US safety phrases, S

S16,S26,S27,S45

UN number

-

UN/NA hazard class

3

UN packaging group

I

2401

DOT class

3, I

ICAO/IATA class, packaging group

UN 2401 PIPERIDINE, 8 (3), I

IMDG class, packaging group

UN 2401 PIPERIDINE, 8 (3), I

Proper shipping name

piperidine

Flash point

o

Flash point method

-

TCC

Explosion limit, lower

wt%

1.15

Explosion limit, upper

wt%

C

16

8.70

Animal testing, acute toxicity, Rat oral LD50

-1

mg kg

400

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

320

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

4,000/4H

Route of entry

Inh, Skin

Ingestion

Harmful if swallowed.

Skin irritation

MAY BE ABSORBED! Toxic in contact with skin. Causes skin burns.

Eye irritation

Causes eye damage.

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

623

Piperidine PARAMETER

UNIT

VALUE

Inhalation

Toxic by inhalation

First aid: eyes

Flush eyes with a directed stream of water for at least 15 minutes. Contact physician.

First aid: skin

Take off contaminated clothing. Immediately rinse skin with plenty of soap and water for 15-20 minutes. Contact physician

First aid: inhalation

Move person to fresh air. Keep warm and rested. Give artificial respiration if not breathing. Consult a physician

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Montreal protocol

-

N

Partition coefficient

logKow

0.67

USE & PERFORMANCE Recommended for products

Applications especially for synthesis of pharmaceuticals, agro chemicals and rubber chemicals.

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

624

Pyridine PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Pyridine

CAS #

-

Common name

azine

Common synonym

azabenzene

Empirical formula

-

110-86-1

C5H5N

Formula

N Molecular mass

daltons

79.1

RTECS number

-

UR8400000

Chemical category

-

heterocyclic

Mixture

-

N

EC number

-

203-809-9

Product contents

pyridine, approx 100 wt%

PHYSICAL PROPERTIES State

-

L

Odor

-

characteristic

Color

-

colorless

Boiling point

o

C

Freezing point

o

C

Refractive index at 20oC

-

1.5100

Specific gravity

-

0.982

Specific gravity temperature

o

Vapor density

air=1

2.73

Vapor pressure

kPa

2.67

Vapor pressure temperature

o

Enthalpy of vaporization

kJ mol-1

35.09

Enthalpy of vaporization temperature

K

388.4

Acceptor number

-

14.2

Donor number

kcal mol-1

33.1

Polarity parameter, ET(30)

kcal mol

40.5

115.0 -41.60

C

25

C

25

-1

Corrosivity

-

Y

Molar volume

cm3 mol-1

80.9

Coefficients of Antoine equation

coefficient A

4.16272

coefficient B

1371.358

coefficient C

-58.496

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

625

Pyridine PARAMETER

UNIT

VALUE

Temperature range of Antoine equation

K

340.4 to 426.0

pH

-

8.5

Viscosity

mPas (cP)

Viscosity temperature

o

Solubility in water at 20oC

mg kg-1

Coefficient of thermal expansion

10

Hildebrand solubility parameter

(MPa)1/2

21.31

dD

19.0

dP

8.8

Hansen solubility parameters, (MPa)

1/2

0.88

C

25 -4 o

miscible

C (K ) -1

-1

dH

11.0

5.9

Henry’s law constant

atm/m -mol

Relative permittivity

-

12.50

Flammability

3

Health

3

Reactivity

0

3

-1

9.31E-06

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R11,R20/21/22

US safety phrases, S

S2,S26,S28

UN number

-

UN/NA hazard class

3

UN packaging group

II

DOT class

UN 1282 PYRIDINE, 3, II

1282

TDG class

3, II

ICAO/IATA class, packaging group

UN 1282 PYRIDINE, 3, II

IMDG class, packaging group

UN 1282 PYRIDINE, 3, II

Proper shipping name

pyridine

Autoignition temperature

o

C

480

Flash point

o

C

18.8

Flash point method

-

TCC

Explosion limit, lower

wt%

1.80

Explosion limit, upper

wt%

12.40

Threshold limiting value – TWA 8h, ACGIH

mg m

16

Threshold limiting value – TWA 8h, ACGIH

ppm

5

Threshold limiting value – TWA 8h, NIOSH

mg m-3

15

Threshold limiting value – TWA 8h, NIOSH

ppm

5

Threshold limiting value – TWA 8h, OSHA

mg m-3

15

Threshold limiting value – TWA 8h, OSHA

ppm

5

-3

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

626

Pyridine PARAMETER

UNIT

VALUE

Maximum exposure concentration NIOSH-IDLH

ppm

1000

Maximum concentration, any time, ACGIH

ppm

Maximum concentration, any time, OSHA

mg m

Maximum concentration, any time, OSHA

ppm

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

891

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

1,000-2,000

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

Route of entry

Intraperitoneal, Ing, Skin, Intravenous, Subcutaneous

Ingestion

May cause gastrointestinal irritation with nausea, vomiting and diarrhea.

Skin irritation

May cause skin irritation. May be harmful if absorbed through the skin.

Eye irritation

Causes severe eye irritation and possible eye burns.

Inhalation

Inhalation of high concentrations may cause central nervous system effects characterized by nausea, headache, dizziness, unconsciousness and coma.

First aid: eyes

Flush eyes with a directed stream of water for at least 15 minutes. Contact physician.

First aid: skin

Wash immediately affected areas with water while removing contaminated clothing. Immediate medical attention required.

First aid: inhalation

Remove immediately the affected individual into fresh air and keep the person calm. Assist in breathing if necessary. Immediate medical attention required

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

1 -3

15 5

-1

4,900-6,000/4H

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

1.15

Biological oxygen demand, 20 days

g g-1

2.02

Theoretical oxygen demand

gg

2.52

Montreal protocol

-

N

Partition coefficient

logKow

0.65

-1

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

627

Pyridine PARAMETER

UNIT

VALUE

USE & PERFORMANCE Manufacturer

Vertellus, Nantong Reilly Chemical Company Ltd.

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

628

Pyrrolidinone, 2PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Pyrrolidinone, 2-

CAS #

-

616-45-5

IUPAC name

pyrrolidin-2-one

Common name

butyrolactam

Common synonym

2-oxypirrolidine

Empirical formula

-

C4H7NO

Formula

O N H

Molecular mass

daltons

85.11

RTECS number

-

UY5715000

Chemical category

-

heterocyclic

Mixture

-

N

EC number

-

210-483-1

Product contents

2-pyrrolidinone >99.5 wt%

PHYSICAL PROPERTIES State

-

L

Odor

-

amine-like

Color

-

colorless to yellow

Boiling point

o

C

Freezing point

o

C

Refractive index at 20oC

-

1.486

Specific gravity

-

1.1

Specific gravity temperature

o

Vapor density

air=1

2.9

Polarity parameter, ET(30)

kcal mol-1

47.9

Acid dissociation constant

-

14.7

Corrosivity

-

Molar volume

cm mol

Viscosity

mPas (cP)

Viscosity temperature

o

Solubility in water at 20oC

mg kg-1

infinite

Coefficient of thermal expansion

10-4 oC-1 (K-1)

21.8

Hildebrand solubility parameter

(MPa)1/2

29.56

245-250 23-25

C

25

N 3

-1

C

76.8 13.3 25

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

629

Pyrrolidinone, 2PARAMETER

UNIT

VALUE

Hansen solubility parameters, (MPa)1/2

dD

18.2

dP

12.0

dH

9.0

Flammability

1

Health

2

Reactivity

0

HEALTH & SAFETY NFPA classification

UN/NA hazard class

not regulated

UN packaging group

not regulated

DOT class

not regulated

ICAO/IATA class, packaging group

not regulated

IMDG class, packaging group

not regulated

Autoignition temperature

o

C

390

Flash point

o

C

129

Flash point method

-

Explosion limit, upper

wt%

Animal testing, acute toxicity, Rat oral LD50

mg kg

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

OC 13.8 -1

6,500

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

1.16

Chemical oxygen demand

gg

-1

1.61

Theoretical oxygen demand

gg

-1

Bioconcentration factor

-

3

Montreal protocol

-

N

Partition coefficient

logKow

-0.85

1.97

USE & PERFORMANCE Recommended for products

Co-solvent in inkjet ink, Solvent to produce membrane filters for e.g. sterile filtration of drugs such as pharmaceutical proteins.

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

630

Tetrahydrofuran PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Tetrahydrofuran

CAS #

-

109-99-9

IUPAC name

oxolane

Common name

1,4-epoxybutane

Common synonym

tetramethylene oxide

Acronym

-

THF

Empirical formula

-

C4H8O

Formula

O Molecular mass

daltons

72.12

RTECS number

-

LU5950000

Chemical category

-

heterocyclic

Mixture

-

N

EC number

-

203-726-8

Product contents

Tetrahydrofuran >99.5 wt%

PHYSICAL PROPERTIES State

-

L

Odor

-

ether-like

Odor threshold

ppm

2.0

Color

-

colorless

Boiling point

o

C

65.9

Freezing point

o

C

-109.0

Refractive index at 20 C

-

1.4100

Specific gravity

-

0.889

Specific gravity temperature

o

Vapor density

air=1

2.50

Vapor pressure

kPa

21.6

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

5.70

Enthalpy of vaporization

kJ mol-1

29.81

Enthalpy of vaporization temperature

K

339.1

Acceptor number

-

Donor number

kcal mol

-1

Polarity parameter, ET(30)

kcal mol

-1

Acid dissociation constant

-

o

C

20

C

25

8.0 20.0 37.4 -2.08

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

631

Tetrahydrofuran PARAMETER

UNIT

VALUE

Corrosivity

-

N

Molar volume

cm3 mol-1

81.9

Coefficients of Antoine equation

coefficient A

4.12118

coefficient B

1202.942

coefficient C

-46.818

Temperature range of Antoine equation

K

296.3 to 372.8

Viscosity

mPas (cP)

0.46

Viscosity temperature

o

C

25

Surface tension at 20 C

mN m

Solubility in water at 20oC

mg kg-1

Heat of combustion at 25 C

MJ kg

Specific heat at 25 C

kJ K mol

Thermal conductivity at 25oC

W m-1 K-1

Coefficient of thermal expansion

10

Hildebrand solubility parameter

(MPa)

Hansen solubility parameters, (MPa)1/2

dD

16.8

dP

5.7

o

o

o

infinite 35.60

-1

-1

-4 o

26.40

-1

123.89

-1

0.1406

C (K ) -1

-1

12.10 20.25

1/2

dH

8.0

Henry’s law constant

atm/m -mol

Relative permittivity

-

7.58

Flammability

3

Health

2

Reactivity

1

3

-1

5.26E-05

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R11,R19,R36/37

US safety phrases, S

S16,S29,S33

UN number

-

UN/NA hazard class

3

UN packaging group

II

ICAO/IATA class, packaging group

UN 2056 TETRAHYDROFURAN, 3, II

IMDG class, packaging group

UN 2056 TETRAHYDROFURAN, 3, II

Proper shipping name

tetrahydrofuran

Autoignition temperature

o

C

Flash point

o

C

Flash point method

-

CC

Explosion limit, lower

wt%

1.80

Explosion limit, upper

wt%

11.80

2056

321 -14.0

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

632

Tetrahydrofuran PARAMETER

UNIT

Threshold limiting value – TWA 8h, ACGIH

mg m-3

590

Threshold limiting value – TWA 8h, ACGIH

ppm

200

Threshold limiting value – TWA 8h, NIOSH

mg m-3

590

Threshold limiting value – TWA 8h, NIOSH

ppm

200

Threshold limiting value – TWA 8h, OSHA

mg m-3

590

Threshold limiting value – TWA 8h, OSHA

ppm

200

Maximum exposure concentration NIOSH-IDLH

mg m-3

60,000

Maximum exposure concentration NIOSH-IDLH

ppm

2,000

Maximum concentration, any time, NIOSH

mg m

Maximum concentration, any time, NIOSH

ppm

200

Maximum concentration, any time, OSHA

mg m-3

590

Maximum concentration, any time, OSHA

ppm

200

Maximum concentration, 15 min., ACGIH

ppm

Maximum concentration, 15 min., NIOSH

mg m

Maximum concentration, 15 min., NIOSH

ppm

250

Maximum concentration, 15 min., OSHA

mg m-3

735

Maximum concentration, 15 min., OSHA

ppm

250

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

1,650

Animal testing, acute toxicity, Rat inhalation, LC50

mg m

21,000/3H

Route of entry

Inh, Con, Ing

Ingestion

Causes irritation to the gastrointestinal tract. Symptoms may include nausea, vomiting and diarrhea.

Skin irritation

Causes irritation to skin.

Eye irritation

Causes irritation, redness, and pain. Contact may cause permanent eye damage.

Inhalation

Causes irritation to the respiratory tract. Symptoms may include coughing, shortness of breath.

First aid: eyes

Rinse cautiously with water for several minutes. Remove contact lenses, if present. If irritation persists, get medical attention.

First aid: skin

Wash with plenty of soap and water. If irritation persists, get medical attention.

First aid: inhalation

Remove to fresh air. Respiratory support. Call for prompt medical attention.

Target organs

Eye,Skin,RspSys,CNS

-3

VALUE

590

50 -3

-3

735

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

633

Tetrahydrofuran PARAMETER

UNIT

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

Mutagenic properties

N

VALUE

ECOLOGICAL PROPERTIES Theoretical oxygen demand

g g-1

2.44

Bioconcentration factor

-

0.12

Biodegradation probability

-

days-weeks

Hydroxyl rate constant

cm3 molecule-1 s-1

1.61E-11

Montreal protocol

-

N

Partition coefficient

logKow

0.46

Urban ozone formation potential

C2H4=1

0.49

Soil absorption constant

-

0.67

UV absorption

nm

<220

USE & PERFORMANCE Recommended for products

Solvent for high polymers, especially polyvinyl chloride. Solvent in preparation of printing inks, adhesives, lacquers, & other coatings

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

634

Vinyl-2-pyrrolidone, NPARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Vinyl-2-pyrrolidone, N-

CAS #

-

88-12-0

IUPAC name

1-ethenylpyrrolidin-2-one

Common name

1-ethenyl-2-pyrrolidone

Common synonym

N-vinylbutyrolactam

Acronym

-

NVP

Empirical formula

-

C6H9NO

Formula

O

N

Molecular mass

daltons

111.14

RTECS number

-

UY6107000

Chemical category

-

heterocyclic

Mixture

-

N

EC number

-

201-800-4

Product contents

n-vinyl-2-pyrrolidone >99.0 wt%, 2-pyrrolidone <0.2 wt%

PHYSICAL PROPERTIES State

-

L

Odor

-

amine-like

Color

colorless to yellowish

Freezing point

o

C

14

Specific gravity

-

Specific gravity temperature

o

Vapor density

air=1

3.8

Vapor pressure

kPa

0.013

Vapor pressure temperature

o

Corrosivity

-

Y

Molar volume

cm3 mol-1

106.9

Viscosity

mPas (cP)

Viscosity temperature

o

Hansen solubility parameters, (MPa)1/2

dD

16.4

dP

9.3

dH

5.9

C

C

C

1.043 20

24

2.4 20

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

635

Vinyl-2-pyrrolidone, NPARAMETER

UNIT

VALUE

Flammability

1

Health

2

HEALTH & SAFETY NFPA classification

HMIS classification

Reactivity

0

Flammability

1

Health

2

Reactivity

0

UN risk phrases, R

R40,R20/21/22,R48/20,R37,R41

US safety phrases, S

S26,S36/37/39

UN number

-

UN/NA hazard class

6.1

2810

UN packaging group

III

DOT class

UN 2810 TOXIC LIQUID, ORGANIC, N.O.S. (1-VINYL-2-PYRROLIDONE), 6.1, III

ICAO/IATA class, packaging group

UN 2810 TOXIC LIQUID, ORGANIC, N.O.S. (1-VINYL-2-PYRROLIDONE), 6.1, III

IMDG class, packaging group

UN 2810 TOXIC LIQUID, ORGANIC, N.O.S. (1-VINYL-2-PYRROLIDONE), 6.1, III

Proper shipping name

toxic liquid, organic, n.o.s. (1-vinyl-2-pyrrolidone)

Autoignition temperature

o

C

Flash point

o

C

Flash point method

-

CC

Explosion limit, lower

wt%

1.4

Explosion limit, upper

wt%

10.0

Threshold limiting value – TWA 8h, ACGIH

ppm

0.05

Maximum concentration, any time, ACGIH

ppm

0.1

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

1,022 (BASF test)

Animal testing, acute toxicity, Mouse oral LD50

mg kg-1

12,000

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

400 (BASF test)

Route of entry

Inh, Ing, Con

Ingestion

Harmful if swallowed.

Skin irritation

May cause skin irritation. Can be absorbed through the skin.

Eye irritation

May causes serious damage to eye

240 95

-1

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

636

Vinyl-2-pyrrolidone, NPARAMETER

UNIT

VALUE

Inhalation

Prolonged exposure to inhalation may cause serious damage to health.

First aid: eyes

Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician

First aid: skin

Wash off with plenty of water. Take off all contaminated clothing immediately. If skin irritation persists, call physician.

First aid: inhalation

Move person into fresh air. If not breathing, give artificial respiration. If symptoms persists, call physician.

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Aquatic toxicity, Daphnia magna, 48-h LC50 Aquatic toxicity, Rainbow trout, 96-h LC50

mg l-1

45

mg l-1

913

Biodegradation probability

-

90-100% 28 days

Montreal protocol

-

N

Partition coefficient

logKow

0.37

Manufacturer

-

BASF

Recommended for products

Reactive diluent for UV adhesives & UV inks, especially screen & digital printing inks / ink jet printing inks, polymers, tableting

USE & PERFORMANCE

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

637

3.14 Hydrochlorofluorocarbons Chlorodifluoroethane, 1,1,1PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Chlorodifluoroethane, 1,1,1-

CAS #

-

75-68-3

IUPAC name

1-chloro-1,1-difluoro-ethane

Common name

Freon 142

Empirical formula

-

C2H3ClF2

Formula

CH3CF2Cl

Molecular mass

daltons

100.5

RTECS number

-

KH7650000

Chemical category

hydrochlorofluorocarbon

Mixture

-

N

EC number

-

200-891-8

PHYSICAL PROPERTIES State

-

G

Odor

-

odorless

Color

-

colorless

Boiling point

o

C

-9.0

Freezing point

o

C

-131.0

Specific gravity

-

1.194

Vapor density

air=1

3.49

Vapor pressure

kPa

293

Vapor pressure temperature

o

C

21

Molar volume

cm3 mol-1

86.8

dD

14.1

dP

2.3

dH

1.3

Flammability

4

Health

2

Reactivity

0

UN number

-

2517

UN/NA hazard class

2.1

Autoignition temperature

o

C

631

Explosion limit, lower

wt%

6.20

Explosion limit, upper

wt%

Animal testing, acute toxicity, Rat oral LD50

mg kg

Hansen solubility parameters, (MPa)

1/2

HEALTH & SAFETY NFPA classification

18.00 -1

2,050

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

638

3.14 Hydrochlorofluorocarbons Chlorodifluoroethane, 1,1,1PARAMETER

UNIT

VALUE

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

2,050/4H

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Global warming potential

2000

Montreal protocol

-

Y

Partition coefficient

logKow

2.05

Ozone depletion potential

CFC11=1

0.06

Manufacturer

-

Arkema

Recommended for products

refrigerant, solvent

USE & PERFORMANCE

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

639

Tetrafluoroethane, 1,1,1,2PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Tetrafluoroethane, 1,1,1,2-

CAS #

-

811-97-2

IUPAC name

1,1,1,2-tetrafluoroethane

Common name

HFC 134A

Empirical formula

-

C2H2F4

Formula

HCF2CF2H

Molecular mass

daltons

102.03

RTECS number

-

KI8842500

Chemical category

-

hydrofluorocarbon

Mixture

-

N

EC number

-

212-377-0

PHYSICAL PROPERTIES State

-

G

Odor

-

characteristic

Color

-

colorless

Boiling point

o

C

-26.0

Freezing point

o

C

-103.0

Specific gravity

-

Specific gravity temperature

o

1.200

Vapor density

air=1

3.50

Vapor pressure

kPa

666

Vapor pressure temperature

o

C

25

Molar volume

cm3 mol-1

C

25

74.2

Solubility in water at 20 C

mg kg

Coefficient of thermal expansion

10

Hansen solubility parameters, (MPa)1/2

dD

16.1

dP

4.0

dH

0.0

UN number

-

3159

UN/NA hazard class

2.2

Autoignition temperature

o

Skin irritation

ON CONTACT WITH LIQUID  FROSTBITE.

Inhalation

Inhalation causes dizziness, drowsiness, dullness.

o

-4 o

traces

-1

C (K ) -1

-1

0.34

HEALTH & SAFETY

C

770

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

640

Tetrafluoroethane, 1,1,1,2PARAMETER

UNIT

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

VALUE

ECOLOGICAL PROPERTIES Partition coefficient

logKow

1.68

Ozone depletion potential

CFC11=1

0

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

641

3.15 Ketones Acetone PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Acetone

CAS #

-

67-64-1

IUPAC name

acetone

Common name

2-propanone

Common synonym

propan-2-one

Empirical formula

-

C3H6O

Formula

O H 3C

C

CH3

Molecular mass

daltons

58.09

RTECS number

-

AL3150000

Chemical category

-

ketone

Mixture

-

N

EC number

-

200-662-2

PHYSICAL PROPERTIES State

-

L

Odor

-

mint-like

Odor threshold

ppm

13.0

Color

-

colorless

Boiling point

o

C

56.1

Freezing point

o

C

-60.0

Refractive index at 20 C

-

1.3590

Specific gravity

-

0.790

Specific gravity temperature

o

Vapor density

air=1

2.00

Vapor pressure

kPa

30.8

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

6.60

Enthalpy of vaporization

kJ mol-1

29.10

Enthalpy of vaporization temperature

K

329.3

Acceptor number

-

Donor number

kcal mol

-1

Polarity parameter, ET(30)

kcal mol

-1

Acid dissociation constant

-

Corrosivity

-

Molar volume

cm mol

o

C

25

C

25

12.5 17.0 42.2 24.20 N 3

-1

73.8

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

642

3.15 Ketones Acetone PARAMETER

UNIT

VALUE

Coefficients of Antoine equation

coefficient A

4.42448

coefficient B

1312.253

coefficient C

-32.445

Temperature range of Antoine equation

K

259.2 to 507.6

Viscosity

mPas (cP)

0.3029

Viscosity temperature

o

Surface tension at 20oC

mN m-1

22.68

Solubility in water at 20 C

mg kg

-1

infinite

Heat of combustion at 25 C

MJ kg

-1

30.82

Specific heat at 25oC

kJ K-1 mol-1

124.89

Thermal conductivity at 25 C

Wm K

0.1790

Coefficient of thermal expansion

10

Hildebrand solubility parameter

(MPa)1/2

20.46

dD

15.5

dP

10.4

o

o

o

Hansen solubility parameters, (MPa)

C

25

-1

1/2

-4 o

-1

C (K ) -1

-1

dH

14.80

7.0

Henry’s law constant

atm/m -mol

Relative permittivity

-

20.56

Flammability

3

Health

1

Reactivity

0

Flammability

3

Health

2

Reactivity

0

3

-1

3.88E-05

HEALTH & SAFETY NFPA classification

HMIS classification

UN risk phrases, R

R11,R36,R66,R67

US safety phrases, S

S2,S9,S16,S26

UN number

-

1090/1091

UN/NA hazard class

3

UN packaging group

II

DOT class

3, II Acetone

Proper shipping name

Flammable Liquids

Autoignition temperature

o

C

Flash point

o

C

Flash point method

-

CC

Explosion limit, lower

wt%

2.20

Explosion limit, upper

wt%

13.00

465 -18.0

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

643

3.15 Ketones Acetone PARAMETER

UNIT

Threshold limiting value – TWA 8h, ACGIH

mg m-3

1,780

Threshold limiting value – TWA 8h, ACGIH

ppm

750

Threshold limiting value – TWA 8h, NIOSH

mg m-3

590

Threshold limiting value – TWA 8h, NIOSH

ppm

250

Threshold limiting value – TWA 8h, OSHA

mg m-3

2,400

Threshold limiting value – TWA 8h, OSHA

ppm

1,000

Maximum exposure concentration NIOSH-IDLH

mg m-3

5,950

Maximum exposure concentration NIOSH-IDLH

ppm

2,500

Maximum concentration, any time, ACGIH

ppm

500; 750 STEL

Maximum concentration, any time, NIOSH

mg m-3

590

Maximum concentration, any time, NIOSH

ppm

250

Maximum concentration, any time, OSHA

mg m

Maximum concentration, any time, OSHA

ppm

1,000

Maximum concentration, 15 min., ACGIH

mg m-3

2,380

Maximum concentration, 15 min., ACGIH

ppm

1,000

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

5,800

Animal testing, acute toxicity, Mouse oral LD50

mg kg

3,000

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

20,000

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

21,087/8H

Route of entry

Inh, Ing, Con

Ingestion

May be harmful if swallowed

Skin irritation

May cause skin irritation

Eye irritation

Causes eye irritation

Inhalation

May be harmful if inhaled

First aid: eyes

Irrigate immediately

First aid: skin

Immediately flush skin with water

First aid: inhalation

Remove to fresh air. If not breathing, give artificial respiration

Target organs

RspSys,Skin,Lvr,Kdny

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

Mutagenic properties

N

-3

-1

VALUE

2,400

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

0.85

Chemical oxygen demand

gg

1.92

-1

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

644

3.15 Ketones Acetone PARAMETER

UNIT

VALUE

Theoretical oxygen demand

g g-1

2.21

Aquatic toxicity, Bluegill sunfish, 96-h LC50

mg l-1

8,500

Aquatic toxicity Fathead minnow, 96-h LC50

mg l

-1

7,500

Aquatic toxicity, Rainbow trout, 96-h LC50

mg l-1

5,540

Bioconcentration factor

-

-0.40

Biodegradation probability

-

days-weeks

Hydroxyl rate constant

cm3 molecule-1 s-1

2.26E-13

Montreal protocol

-

N

Partition coefficient

logKow

-0.24

Urban ozone formation potential

C2H4=1

0.01

Soil absorption constant

-

1.26

UV absorption

nm

270 (MeOH)

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

645

Cyclohexanone PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Cyclohexanone

CAS #

-

108-94-1

IUPAC name

cyclohexanone

Common name

cyclohexyl ketone

Common synonym

pimelic ketone

Acronym

-

CYHAONE

Empirical formula

-

C6H10O

Formula

O Molecular mass

daltons

98.16

RTECS number

-

GW1050000

Chemical category

-

ketone

Mixture

-

N

EC number

-

203-631-1

PHYSICAL PROPERTIES State

-

L

Odor

-

acetone-like

Odor threshold

ppm

0.88

Color

-

colorless to yellow

Boiling point

o

C

Freezing point

o

C

Refractive index at 20oC

-

1.4500

Specific gravity

-

0.945

Specific gravity temperature

o

Vapor density

air=1

3.40

Vapor pressure

kPa

0.52

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

0.29

Enthalpy of vaporization

kJ mol-1

45.13

Enthalpy of vaporization temperature

K

428.8

Donor number

kcal mol-1

18.0

Polarity parameter, ET(30)

kcal mol

39.8

155.7 -32.1

C

20

C

20

Acid dissociation constant

-

Corrosivity

-

Molar volume

cm mol

-1

17.80 Y 3

-1

104.2

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

646

Cyclohexanone PARAMETER

UNIT

VALUE

Coefficients of Antoine equation

coefficient A

3.1033

coefficient B

1495.51

coefficient C

-63.598

Temperature range of Antoine equation

K

362.8 to 438.9

Viscosity

mPas (cP)

2.453

Viscosity temperature

o

Surface tension at 20oC

mN m-1

35.05

Solubility in water at 20 C

mg kg

-1

23000

Heat of combustion at 25 C

MJ kg

-1

35.86

Specific heat at 25oC

kJ K-1 mol-1

179.28

Coefficient of thermal expansion

10

8.97

Hildebrand solubility parameter

(MPa)

Hansen solubility parameters, (MPa)1/2

dD

17.8

dP

8.4

o

o

C

15

-4 o

C (K ) -1

-1

1/2

20.25

dH

5.1

Henry’s law constant

atm/m3-mol-1

5.11E-05

Relative permittivity

-

18.20

Flammability

2

Health

1

HEALTH & SAFETY NFPA classification

HMIS classification

UN risk phrases, R

Reactivity

0

Flammability

2

Health

2

Reactivity

0

R10,R20

US safety phrases, S

S2,S25

UN number

-

UN/NA hazard class

3

UN packaging group

III

DOT class

3, III

ICAO/IATA class, packaging group

UN 1915 CYCLOHEXANONE, 3, III

1915

IMDG class, packaging group

UN 1915 CYCLOHEXANONE, 3, III

Proper shipping name

cycloxexanone

Autoignition temperature

o

C

420

Flash point

o

C

46.0

Flash point method

-

CC

Explosion limit, lower

wt%

1.10

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

647

Cyclohexanone PARAMETER

UNIT

VALUE

Explosion limit, upper

wt%

9.40

Threshold limiting value – TWA 8h, ACGIH

mg m-3

100

Threshold limiting value – TWA 8h, ACGIH

ppm

25

Threshold limiting value – TWA 8h, NIOSH

mg m-3

100

Threshold limiting value – TWA 8h, NIOSH

ppm

25

Threshold limiting value – TWA 8h, OSHA

mg m

200

Threshold limiting value – TWA 8h, OSHA

ppm

50

Maximum exposure concentration NIOSH-IDLH

mg m-3

20,400

Maximum exposure concentration NIOSH-IDLH

ppm

700

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

1,535

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

948

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

-3

-1

8,000/4H

Route of entry

Inh, Abs, Ing, Con

Target organs

RspSys,Eye,Skin,CNS

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

Mutagenic properties

N

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

1.50

Biological oxygen demand, 20 days

gg

-1

2.01

Chemical oxygen demand

gg

-1

2.61

Theoretical oxygen demand

g g-1

2.61

Bioconcentration factor

-

0.39

Biodegradation probability

-

days-weeks

Hydroxyl rate constant

cm3 molecule-1 s-1

6.39E-12

Montreal protocol

-

N

Partition coefficient

logKow

0.81

Urban ozone formation potential

C2H4=1

0.12

Soil absorption constant

-

1.18

UV absorption

nm

279.5, 276 (MeOH)

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

648

Cyclopentanone PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Cyclopentanone

CAS #

-

120-92-3

IUPAC name

cyclopentanone

Common name

adipic ketone

Common synonym

ketocyclopentane

Acronym

-

CYPNONE

Empirical formula

-

C5H8O

Formula

O Molecular mass

daltons

84.12

RTECS number

-

GY4725000

Chemical category

-

ketone

Mixture

-

N

EC number

-

204-435-9 L

PHYSICAL PROPERTIES State

-

Odor

ethereal, peppermint-like

Color

-

Boiling point

o

C

118-131

Freezing point

o

C

-51

colorless

Refractive index at 20 C

-

1.382

Specific gravity

-

0.94869

Specific gravity temperature

o

Vapor density

air=1

2.3

Vapor pressure

kPa

2.62

Vapor pressure temperature

o

o

C

15

C

25 33.68

Enthalpy of vaporization

kJ mol

Enthalpy of vaporization temperature

K

Donor number

kcal mol-1

Polarity parameter, ET(30)

kcal mol

Corrosivity

-

N

Molar volume

cm3 mol-1

87.9

Coefficients of Antoine equation

coefficient A

3.25397

coefficient B

1452.08

coefficient C

-48.964

-1

390.8 -1

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

16.6 42.5

649

Cyclopentanone PARAMETER

UNIT

VALUE

Temperature range of Antoine equation

K

333.0 to 400.9

Viscosity

mPas (cP)

0.57

Viscosity temperature

o

Solubility in water at 20oC

mg kg-1

Coefficient of thermal expansion

10

Hildebrand solubility parameter

(MPa)

Hansen solubility parameters, (MPa)1/2

dD

15.3

dP

12.4

Henry’s law constant

C

25 -4 o

9,175

C (K ) -1

-1

1/2

11.6 19.43

dH

5.1

atm/m3-mol-1

5.40E-05

Flammability

3

Health

2

Reactivity

0

Flammability

3

Health

1

Reactivity

1

HEALTH & SAFETY NFPA classification

HMIS classification

UN risk phrases, R

R10,R36/38

US safety phrases, S

S2,S23,S24/25

UN number

-

UN/NA hazard class

3

UN packaging group

III

2245

DOT class

3, III

ICAO/IATA class, packaging group

UN 2245 CYCLOPENTANONE, 3, III

IMDG class, packaging group

UN 2245 CYCLOPENTANONE, 3, III

Proper shipping name

cyclopentanone

Flash point

o

Flash point method

-

CC

Explosion limit, lower

wt%

1.7

Explosion limit, upper

wt%

10.4

Route of entry

Inh, Eye, Skin

Skin irritation

Causes skin irritation

Eye irritation

Causes eye irritation

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

C

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

26-30

650

Cyclopentanone PARAMETER

UNIT

VALUE

ECOLOGICAL PROPERTIES Bioconcentration factor

-

-0.05

Montreal protocol

-

N

Partition coefficient

logKow

0.38-0.63

USE & PERFORMANCE Manufacturer

BASF AG, TCI America

Recommended for products

pharmaceuticals, solvent, flavoring agent

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

651

Diacetone alcohol PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Diacetone alcohol

CAS #

-

123-42-2

IUPAC name

4-hydroxy-4-methyl-pentan-2-one

Common name

2-methyl-2-pentanol-4-one

Common synonym

diacetone

Acronym

-

4OHMIBK

Empirical formula

-

C6H12O2

Formula

O

Molecular mass

daltons

116.18

RTECS number

-

SA9100000

Chemical category

-

ketone

Mixture

-

N

EC number

-

204-626-7

-

L

PHYSICAL PROPERTIES State Odor

-

faint, mint

Odor threshold

ppm

0.28

Color

-

colorless

Boiling point

o

C

168.1

Freezing point

o

C

-42.80

Refractive index at 20 C o

-

1.4242

Specific gravity

-

Specific gravity temperature

o

0.934

Vapor density

air=1

4.00

Vapor pressure

kPa

0.12

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

0.15

Evaporation rate

ether=1

150

Enthalpy of vaporization

kJ mol

39.70

Enthalpy of vaporization temperature

K

bp

Molar volume

cm3 mol-1

124.3

Coefficients of Antoine equation

coefficient A

4.9994

C

25

C

20

-1

coefficient B

1996.859

coefficient C

-41.526

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

652

Diacetone alcohol PARAMETER

UNIT

VALUE

Temperature range of Antoine equation

K

295.0 to 441.0

Viscosity

mPas (cP)

2.9

Viscosity temperature

o

Surface tension at 20oC

mN m-1

31.0

Solubility in water at 20 C

mg kg

-1

infinite

Heat of combustion at 25 C

MJ kg

-1

35.25

Specific heat at 25oC

kJ K-1 mol-1

Coefficient of thermal expansion

10

Hildebrand solubility parameter

(MPa)

Hansen solubility parameters, (MPa)1/2

dD

15.8

dP

8.2

o

o

C

25

-4 o

C (K ) -1

-1

1/2

218.40 9.70 18.82

dH

10.8

Henry’s law constant

atm/m3-mol-1

4.24E-07

Relative permittivity

-

18.20

Electrical conductivity

pS m

-1

2.00E+07

HEALTH & SAFETY NFPA classification

HMIS classification

Flammability

2

Health

1

Reactivity

0

Flammability

2

Health

1

Reactivity

1

UN risk phrases, R

R36

US safety phrases, S

S24/25

UN number

-

1148

UN/NA hazard class

3

UN packaging group

III

DOT class

3, III

ICAO/IATA class, packaging group

UN 1148 DIACETONE ALCOHOL, 3, III

IMDG class, packaging group

UN 1148 DIACETONE ALCOHOL, 3, III

Proper shipping name

diacetone alcohol

Autoignition temperature

o

C

620

Flash point

o

C

52.0

Flash point method

-

CC

Explosion limit, lower

wt%

1.80

Explosion limit, upper

wt%

Threshold limiting value – TWA 8h, ACGIH

mg m

6.90 -3

238

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

653

Diacetone alcohol PARAMETER

UNIT

VALUE

Threshold limiting value – TWA 8h, ACGIH

ppm

50

Threshold limiting value – TWA 8h, NIOSH

mg m-3

240

Threshold limiting value – TWA 8h, NIOSH

ppm

50

Threshold limiting value – TWA 8h, OSHA

mg m-3

240

Threshold limiting value – TWA 8h, OSHA

ppm

50 10,143

Maximum exposure concentration NIOSH-IDLH

mg m

Maximum exposure concentration NIOSH-IDLH

ppm

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

4,000

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

13,500

Route of entry

Inh, Ing, Con

Target organs

Eye,Skin,RspSys

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

Mutagenic properties

Y

-3

1,800 -1

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

0.68

Chemical oxygen demand

g g-1

2.11

Theoretical oxygen demand

gg

2.11

-1

Bioconcentration factor

-

-0.30

Biodegradation probability

-

days-weeks

Hydroxyl rate constant

cm3 molecule-1 s-1

1.34E-12

Montreal protocol

-

N

Partition coefficient

logKow

-0.34

Urban ozone formation potential

C2H4=1

0.06

Soil absorption constant

-

-0.30

USE & PERFORMANCE Manufacturer

Arkema, Parchem Fine & Specialty Chemicals

Recommended for polymers

variety of resins

Recommended for products

coatings

Processing methods

coating

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

654

Diisobutyl ketone PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Diisobutyl ketone

CAS #

-

108-83-8

IUPAC name

2,6-dimethylheptan-4-one

Common name

2,6-dimethyl-4-heptanone

Common synonym

isovalerone

Empirical formula

-

Formula

C9H18O

H3C H3C

CHCH2CCH2CH O

CH3 CH3

Molecular mass

daltons

142.24

RTECS number

-

MJ5775000

Chemical category

-

ketone

Mixture

-

N

EC number

-

203-620-1

-

L

PHYSICAL PROPERTIES State Odor

-

mild, sweet

Odor threshold

ppm

50.0

Color

-

colorless

Boiling point

o

C

169.4

Freezing point

o

C

-46.04

Refractive index at 20 C

-

1.4120

Specific gravity

-

0.807

Specific gravity temperature

o

Vapor density

air=1

4.90

Vapor pressure

kPa

0.187

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

0.20

Evaporation rate

ether=1

60.5

o

C

20

C

20

38.60

Enthalpy of vaporization

kJ mol

Enthalpy of vaporization temperature

K

379.3

Acid dissociation constant

-

21.0

Corrosivity

-

N

Molar volume

cm3 mol-1

177.4

-1

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

655

Diisobutyl ketone PARAMETER

UNIT

VALUE

Coefficients of Antoine equation

coefficient A

6.0729

coefficient B

1476.4

coefficient C

195

Viscosity

mPas (cP)

1

Viscosity temperature

o

C

20

Surface tension at 20 C

mN m

Solubility in water at 20oC

mg kg-1

Heat of combustion at 25 C

MJ kg

Coefficient of thermal expansion

10

Hildebrand solubility parameter

(MPa)1/2

15.95

dD

16.0

dP

3.7

o

o

Hansen solubility parameters, (MPa)

1/2

-4 o

22.80

-1

400 40.11

-1

C (K ) -1

-1

dH Henry’s law constant

9.58

4.1

atm/m -mol 3

-1

2.71E-04

HEALTH & SAFETY NFPA classification

HMIS classification

UN risk phrases, R

Flammability

2

Health

1

Reactivity

0

Flammability

2

Health

1

Reactivity

1

R10,R37

US safety phrases, S

S2,S24

UN number

-

UN/NA hazard class

3

UN packaging group

III

ICAO/IATA class, packaging group

UN 1157 DIISOBUTYL KETONE, 3, III

IMDG class, packaging group

UN 1157 DIISOBUTYL KETONE, 3, III

Proper shipping name

diisobutyl ketone

Autoignition temperature

o

C

345

Flash point

o

C

48.8

Flash point method

-

CC

Explosion limit, lower

wt%

0.81

Explosion limit, upper

wt%

7.10

Threshold limiting value – TWA 8h, ACGIH

mg m-3

145

Threshold limiting value – TWA 8h, ACGIH

ppm

25

Threshold limiting value – TWA 8h, NIOSH

mg m

1157

-3

150

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

656

Diisobutyl ketone PARAMETER

UNIT

VALUE

Threshold limiting value – TWA 8h, NIOSH

ppm

25

Threshold limiting value – TWA 8h, OSHA

mg m-3

290

Threshold limiting value – TWA 8h, OSHA

ppm

50

Maximum exposure concentration NIOSH-IDLH

mg m-3

11,840

Maximum exposure concentration NIOSH-IDLH

ppm

500

Animal testing, acute toxicity, Rat oral LD50

mg kg

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

16,000

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

200/4H

Route of entry

Inh, Ing, Con

Ingestion

Harmful if swallowed

Skin irritation

Causes skin irritation

Eye irritation

Causes eye irritation

Inhalation

May cause respiratory tract irritation

Target organs

RspSys,Skin,Eye

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

Mutagenic properties

N

5,750

-1

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

1.37

Chemical oxygen demand

gg

-1

2.88

Theoretical oxygen demand

gg

-1

Bioconcentration factor

-

1.78

Biodegradation probability

-

days-weeks

Hydroxyl rate constant

cm3 molecule-1 s-1

2.75E-11

Montreal protocol

-

N

2.93

Partition coefficient

logKow

2.56

Urban ozone formation potential

C2H4=1

0.17

Soil absorption constant

-

1.78

USE & PERFORMANCE Manufacturer

Dow, Eastman Chem., Brenntag NV, Shell Chemical

Recommended for polymers

nitrocellulose, acrylics, polyester, epoxy

Recommended for products

Lacquers, coatings, stains, paint strippers, leather finishing compounds, adhesives, inks, cleaning, degreasing, recrystallization of drugs, mining

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

657

Dipropyl ketone PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Dipropyl ketone

CAS #

-

IUPAC name

heptan-4-one

Common name

heptanone, 4-

Common synonym

butyrone

Empirical formula

-

Formula

123-19-3

C7H14O

O

Molecular mass

daltons

114.19

RTECS number

-

MJ5600000

Chemical category

-

ketone

Mixture

-

N

EC number

-

204-608-9

PHYSICAL PROPERTIES State

-

L

Color

-

colorless

Boiling point

o

C

Freezing point

o

C

Refractive index at 20oC

-

1.407

Specific gravity

-

0.814

Vapor density

air=1

3.93

Vapor pressure

kPa

0.693

Vapor pressure temperature

o

Corrosivity

-

N

Molar volume

cm3 mol-1

140.8

Coefficients of Antoine equation

coefficient A

5.94977

coefficient B

2199.856

coefficient C

-46.879

Temperature range of Antoine equation

K

296.0 to 416.8

Heat of combustion at 25oC

MJ kg-1

38.35

dD

15.8

dP

5.7

dH

4.9

-

11.90

Hansen solubility parameters, (MPa)

Relative permittivity

1/2

C

144 -33

20

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

658

Dipropyl ketone PARAMETER

UNIT

VALUE

HEALTH & SAFETY UN risk phrases, R

R10,R20

US safety phrases, S

S24/S25

UN number

-

UN/NA hazard class

3

UN packaging group

III

2710

DOT class

3, III

ICAO/IATA class, packaging group

UN 2710 DIPROPYL KETONE, 3, III

IMDG class, packaging group

UN 2710 DIPROPYL KETONE, 3, III

Proper shipping name

dipropyl ketone

Autoignition temperature

o

C

Flash point

o

C

Flash point method

-

Explosion limit, lower

wt%

430 49 CC 1.0

Threshold limiting value – TWA 8h, ACGIH

mg m

230

Threshold limiting value – TWA 8h, ACGIH

ppm

50

Threshold limiting value – TWA 8h, NIOSH

ppm

-3

50

Animal testing, acute toxicity, Rat oral LD50

mg kg

3,730

Animal testing, acute toxicity, Mouse oral LD50

mg kg-1

>3,200

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

5,660

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

-1

-1

Route of entry

Ing, Inh, Skin

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

4,000/4H

ECOLOGICAL PROPERTIES Bioconcentration factor

-

9.7

Montreal protocol

-

N

Partition coefficient

logKow

1.73-2.04

USE & PERFORMANCE Recommended for products

coatings, paints, flavoring agents

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

659

Ethyl butyl ketone PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Ethyl butyl ketone

CAS #

-

106-35-4

IUPAC name

heptan-3-one

Common name

3-heptanone

Acronym

-

3HPONE

Empirical formula

-

C7H14O

Formula

CH3CH2C(CH2)3CH3 O

Molecular mass

daltons

114.21

RTECS number

-

MJ5250000

Chemical category

-

ketone

Mixture

-

N

EC number

-

203-388-1

Product contents

ethyl butyl ketone >=97.5 %

PHYSICAL PROPERTIES State

-

L

Odor

-

fatty

Color

-

colorless

Boiling point

o

C

147.0

Freezing point

o

C

-37.0

Refractive index at 20 C

-

1.4070

Specific gravity

-

0.820

Specific gravity temperature

o

Vapor density

air=1

3.93

Vapor pressure

kPa

0.55

Vapor pressure temperature

o

Corrosivity

-

N

Molar volume

cm3 mol-1

140.2

Viscosity

mPas (cP)

Viscosity temperature

o

Heat of combustion at 25oC

MJ kg-1

Hildebrand solubility parameter

(MPa)

Hansen solubility parameters, (MPa)1/2

dD

16.2

dP

5.0

dH

4.1

o

C

20

C

20

C

0.74 25

1/2

38.35 17.08

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

660

Ethyl butyl ketone PARAMETER

UNIT

VALUE

Flammability

2

Health

1

HEALTH & SAFETY NFPA classification

HMIS classification

Reactivity

0

Flammability

2

Health

1

Reactivity

1

UN risk phrases, R

R10,R20,R36,R36/37/38

US safety phrases, S

S24

UN number

-

UN/NA hazard class

3

1224

UN packaging group

III

DOT class

3, III

Proper shipping name

ketones liquid, n.o.s. (3-heptanone)

Autoignition temperature

o

C

390

Flash point

o

C

41.0

Explosion limit, lower

wt%

1.10

Explosion limit, upper

wt%

6.80

Threshold limiting value – TWA 8h, ACGIH

mg m-3

234

Threshold limiting value – TWA 8h, ACGIH

ppm

50

Threshold limiting value – TWA 8h, OSHA

mg m

230

Threshold limiting value – TWA 8h, OSHA

ppm

50

Maximum exposure concentration NIOSH-IDLH

ppm

1,000

Maximum concentration, any time, NIOSH

mg m-3

230

Maximum concentration, any time, NIOSH

ppm

50

Maximum concentration, any time, OSHA

mg m

Maximum concentration, any time, OSHA

ppm

50

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

2,760

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

2,000/4H

Route of entry

Ing, Inh, Con

Ingestion

Harmful if swallowed

Skin irritation

Causes skin irritation

Eye irritation

Causes eye irritation

Inhalation

Causes respiratory tract irritation

First aid: eyes

Irrigate immediately

First aid: skin

Water flush

-3

230

-3

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

661

Ethyl butyl ketone PARAMETER

UNIT

VALUE

First aid: inhalation

Respiratory support. Remove to fresh air and seek medical attention.

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Montreal protocol

-

N

Partition coefficient

logKow

1.73

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

662

Isobutyl heptyl ketone PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Isobutyl heptyl ketone

CAS #

-

123-18-2

IUPAC name

2,6,8-trimethylnonan-4-one

Common name

2,6,8-trimethyl-4-nonanone

Common synonym

4-nonanone, 2,6,8-trimethyl

Acronym

-

IBHK

Empirical formula

-

C12H24O

Formula

CH3CHCH2CHCH2CCH2CHCH3 CH3

CH3

O

CH3

Molecular mass

daltons

184.32

Chemical category

-

ketone

Mixture

-

N

EC number

-

204-607-3

Product contents

isobutyl heptyl ketone >98%

PHYSICAL PROPERTIES State

-

L

Odor

-

pleasant

Color

-

colorless

Boiling point

o

Specific gravity

-

Specific gravity temperature

o

Vapor pressure

kPa

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

0.01

Molar volume

cm3 mol-1

224.1

Viscosity

mPas (cP)

1.4

Viscosity temperature

o

Corrosivity

-

Surface tension at 20oC

mN m-1

C

217.0 0.820

C

25 0.004

C

20

C

20 N 26.10

Heat of combustion at 25 C

MJ kg

Hansen solubility parameters, (MPa)1/2

dD

15.5

dP

3.5

dH

3.8

o

-1

41.51

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

663

Isobutyl heptyl ketone PARAMETER

UNIT

VALUE

Flammability

1

Health

1

Reactivity

1

HEALTH & SAFETY HMIS classification

UN/NA hazard class

not regulated

DOT class

not regulated

Flash point

o

Flash point method

-

Skin irritation

May cause slight skin irritation

Eye irritation

May cause slight eye irritation

Inhalation

Prolong exposure or exposure to heated vapors may cause respiratory irritation

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

C

76.7 CC

ECOLOGICAL PROPERTIES Montreal protocol

-

N

Partition coefficient

logKow

3.96

USE & PERFORMANCE Recommended for products

Coatings and inks, cleaning, degreasing, fragrances

Features & benefits

low viscosity, strong solvency

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

664

Isophorone PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Isophorone

CAS #

-

78-59-1

IUPAC name

3,5,5-trimethylcyclohex-2-en-1-one

Common name

isoacetophenone

Empirical formula

-

C9H14O

Formula

H3C O H3C CH3

Molecular mass

daltons

138.21

RTECS number

-

GW7700000

Chemical category

-

ketone

Mixture

-

N

EC number

-

201-126-0

-

L

PHYSICAL PROPERTIES State Odor

-

peppermint

Odor threshold

ppm

2.0

Color

-

colorless

Boiling point

o

C

215.2

Freezing point

o

C

-8.10

Refractive index at 20 C

-

1.4770

Specific gravity

-

0.929

Specific gravity temperature

o

Vapor density

air=1

4.80

Vapor pressure

kPa

0.01333

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

0.02

Corrosivity

-

N

Molar volume

cm mol

Coefficients of Antoine equation

coefficient A

4.42483

coefficient B

1985.971

o

C

20

C

20

3

-1

150.3

coefficient C

-39.054

K

311.0 to 488.3

Viscosity

mPas (cP)

2.632

Viscosity temperature

o

Temperature range of Antoine equation

C

20

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

665

Isophorone PARAMETER

UNIT

VALUE

Surface tension at 20oC

mN m-1

31.20

Solubility in water at 20 C

mg kg-1

14,600

Heat of combustion at 25 C

MJ kg

Coefficient of thermal expansion

10-4 oC-1 (K-1)

7.83

Hansen solubility parameters, (MPa)1/2

dD

17.0

dP

8.0

o

o

39.02

-1

dH Henry’s law constant

5.0

atm/m -mol 3

6.55E-06

-1

HEALTH & SAFETY NFPA classification

Flammability

2

Health

2

Reactivity

0

UN risk phrases, R

R40,R21/22,R36/37

US safety phrases, S

S2,S13,S23,S36/37/39,S46

UN/NA hazard class

not regulated

DOT class

not regulated

Autoignition temperature

o

C

Flash point

o

C

Flash point method

-

TCC

Explosion limit, lower

wt%

0.80

Explosion limit, upper

wt%

3.80

Threshold limiting value – TWA 8h, ACGIH

ppm

460 85.0

5

Threshold limiting value – TWA 8h, NIOSH

mg m

23

Threshold limiting value – TWA 8h, NIOSH

ppm

4

Threshold limiting value – TWA 8h, OSHA

mg m-3

140

Threshold limiting value – TWA 8h, OSHA

ppm

25

Maximum exposure concentration NIOSH-IDLH

ppm

Maximum concentration, any time, ACGIH

mg m

28

Maximum concentration, any time, ACGIH

ppm

5

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

1,500

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

1,500

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

-3

200 -3

-1

1,840/4H

Route of entry

Ing, Inh, Con

Ingestion

Harmful if swallowed

Skin irritation

Causes skin irritation

Eye irritation

Causes serious eye irritation

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

666

Isophorone PARAMETER

UNIT

VALUE

Inhalation

May cause respiratory track irritation

First aid: eyes

Immediately flush eye(s) with plenty of water. Remove contact lenses. Protect unharmed eye. Keep eye wide open while rinsing. Contact ophthalmologist

First aid: skin

Flush skin with water until all chemical is removed. Remove clothing contaminated with liquid and wash before reuse. Get medical attention

First aid: inhalation

Remove victim to fresh air. If breathing stops provide artificial respiration. If breathing is difficult, give oxygen. Call medical attention

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Biodegradation probability

95% readily biodegradable

Montreal protocol

-

N

Partition coefficient

logKow

1.70

USE & PERFORMANCE Manufacturer

Arkema, Dow Chemical Company, Merck Schuchardt OHG

Recommended for polymers

nitrocellulose

Recommended for products

coatings, fats, oils, lacquers, pesticides, herbicides, thinners, printing inks, adhesives, intermediate

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

667

Methyl amyl ketone PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Methyl amyl ketone

CAS #

-

110-43-0

IUPAC name

heptan-2-one

Common name

methyl pentyl ketone

Common synonym

1-methylhexanal-2-heptanone

Empirical formula

-

C7H14O

Formula

CH3(CH2)4CCH3 O

Molecular mass

daltons

114.21

RTECS number

-

MJ5075000

Chemical category

-

ketone

Mixture

-

N

EC number

-

203-767-1

Product contents

purity 99%

PHYSICAL PROPERTIES State

-

L

Odor

-

banana, fruity

Odor threshold

ppm

0.350

Color

-

colorless

Boiling point

o

C

151.1

Freezing point

o

C

-35.0

Refractive index at 20 C

-

1.4100

Specific gravity

-

0.811

Specific gravity temperature

o

Vapor density

air=1

3.90

Vapor pressure

kPa

0.51

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

0.33

Enthalpy of vaporization

kJ mol-1

31.20

Enthalpy of vaporization temperature

K

298.2

Polarity parameter, ET(30)

kcal mol-1

41.1

Corrosivity

-

N

Molar volume

cm mol

o

C

25

C

25

3

-1

140.8

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

668

Methyl amyl ketone PARAMETER

UNIT

VALUE

Coefficients of Antoine equation

coefficient A

7.24794

coefficient B

3331.738

coefficient C

36.682

Temperature range of Antoine equation

K

292.4 to 423.3

Viscosity

mPas (cP)

0.815

Viscosity temperature

o

Surface tension at 20oC

mN m-1

26.17

Solubility in water at 20 C

mg kg

-1

4,300

Heat of combustion at 25 C

MJ kg

-1

38.35

Specific heat at 25oC

kJ K-1 mol-1

243.59

Coefficient of thermal expansion

10

10.60

Hildebrand solubility parameter

(MPa)

Hansen solubility parameters, (MPa)1/2

dD

16.2

dP

5.7

o

o

C

20

-4 o

C (K ) -1

-1

1/2

17.39

dH

4.1

Henry’s law constant

atm/m3-mol-1

1.77E-04

Relative permittivity

-

11.98

Flammability

2

Health

1

Reactivity

0

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R10,R20/22

US safety phrases, S

S24/25

UN number

-

UN/NA hazard class

3

UN packaging group

III

DOT class

3, III

ICAO/IATA class, packaging group

UN 1110 N-AMYL METHYL KETONE, 3, III

IMDG class, packaging group

UN 1110 N-AMYL METHYL KETONE, 3, III

Proper shipping name

n-amyl methyl ketone

Autoignition temperature

o

C

393

Flash point

o

C

39.0

Flash point method

-

CC

Explosion limit, lower

wt%

1.00

Explosion limit, upper

wt%

5.50

Threshold limiting value – TWA 8h, ACGIH

mg m-3

233

1110

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

669

Methyl amyl ketone PARAMETER

UNIT

VALUE

Threshold limiting value – TWA 8h, ACGIH

ppm

50

Threshold limiting value – TWA 8h, NIOSH

mg m-3

465

Threshold limiting value – TWA 8h, NIOSH

ppm

100

Threshold limiting value – TWA 8h, OSHA

mg m-3

465

Threshold limiting value – TWA 8h, OSHA

ppm

100 19,000

Maximum exposure concentration NIOSH-IDLH

mg m

Maximum exposure concentration NIOSH-IDLH

ppm

Maximum concentration, any time, ACGIH

ppm

Maximum concentration, any time, NIOSH

mg m

Maximum concentration, any time, NIOSH

ppm

100

Maximum concentration, any time, OSHA

mg m-3

465

Maximum concentration, any time, OSHA

ppm

100

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

45,500

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

12,600

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

-3

800 50 -3

-1

465

4,000/4H

Route of entry

Inh, Ing, Con

Ingestion

Harmful if swallowed

Skin irritation

Causes skin irritation. Redness. Dry skin.

Eye irritation

Causes eye irritation. Redness

Inhalation

Causes respiratory irritation. Cough. Dizziness. Headache. Blurred Vision

First aid: eyes

Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid

First aid: skin

Wash off immediately with soap and plenty of water removing all contaminated clothes and shoes . If symptoms persist call a physician

First aid: inhalation

Keep at rest. Move to fresh air. Call a physician immediately

Target organs

Eye,Skin,RspSys,CNS,PNS

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

670

Methyl amyl ketone PARAMETER

UNIT

VALUE

Biological oxygen demand, 5 days

g g-1

1.23

Chemical oxygen demand

gg

-1

2.27

Theoretical oxygen demand

gg

-1

Bioconcentration factor

-

Biodegradation probability

-

Hydroxyl rate constant

cm molecule s

8.67E-12

Montreal protocol

-

N

ECOLOGICAL PROPERTIES

2.80 1.27 days-weeks

3

-1

-1

Partition coefficient

logKow

1.98

Urban ozone formation potential

C2H4=1

0.13

Soil absorption constant

-

1.38

USE & PERFORMANCE Recommended for products

High solids coatings, inks, industrial cleaning, process solvent (resin manufacture)

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

671

Methyl ethyl ketone PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Methyl ethyl ketone

CAS #

-

78-93-3

IUPAC name

butan-2-one

Common name

2-butanone

Acronym

-

MEK

Empirical formula

-

C4H8O

Formula

CH3CCH2CH3 O

Molecular mass

daltons

72.11

RTECS number

-

EL6475000

Chemical category

-

ketone

Mixture

-

N

EC number

-

201-159-0

Product contents

purity 99%

PHYSICAL PROPERTIES State

-

L

Odor

-

mint, acetone

Odor threshold

ppm

5.40

Color

colorless to light yellow

Boiling point

o

C

79.6

Freezing point

o

C

-86.0

Refractive index at 20 C

-

1.3780

Specific gravity

-

0.799

Specific gravity temperature

o

Vapor density

air=1

2.50

Vapor pressure

kPa

12.71

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

4.78

Enthalpy of vaporization

kJ mol-1

31.30

Enthalpy of vaporization temperature

K

352.8

Donor number

kcal mol-1

17.4

Polarity parameter, ET(30)

kcal mol

41.3

o

C

25

C

25

Acid dissociation constant

-

Corrosivity

-

Molar volume

cm mol

-1

14.70 N 3

-1

90.2

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

672

Methyl ethyl ketone PARAMETER

UNIT

VALUE

Coefficients of Antoine equation

coefficient A

3.9894

coefficient B

1150.207

coefficient C

-63.904

Temperature range of Antoine equation

K

314.5 to 370.5

Viscosity

mPas (cP)

0.378

Viscosity temperature

o

Surface tension at 20oC

mN m-1

24.60

Solubility in water at 20 C

mg kg

-1

223000

Heat of combustion at 25 C

MJ kg

-1

33.53

Specific heat at 25oC

kJ K-1 mol-1

158.91

Thermal conductivity at 25 C

Wm K

0.1498

Coefficient of thermal expansion

10

Hildebrand solubility parameter

(MPa)1/2

19.02

dD

16.0

dP

9.0

o

o

o

Hansen solubility parameters, (MPa)

C

25

-1

1/2

-4 o

-1

C (K ) -1

-1

dH

13.20

5.1

Henry’s law constant

atm/m -mol

Relative permittivity

-

18.51

Flammability

3

Health

1

Reactivity

0

3

-1

5.59E-05

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R11,R36,R66,R67

US safety phrases, S

S2,S9,S16

UN number

-

1193

UN/NA hazard class

3

UN packaging group

II

DOT class

3, II

ICAO/IATA class, packaging group

UN 1193 ETHYL METHYL KETONE, 3, II

IMDG class, packaging group

UN 1193 ETHYL METHYL KETONE, 3, II

Proper shipping name

ethyl methyl ketone

Autoignition temperature

o

C

Flash point

o

C

Flash point method

-

TCC

Explosion limit, lower

wt%

1.80

Explosion limit, upper

wt%

11.50

404 -9.0

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

673

Methyl ethyl ketone PARAMETER

UNIT

Threshold limiting value – TWA 8h, ACGIH

mg m-3

590

Threshold limiting value – TWA 8h, ACGIH

ppm

200

Threshold limiting value – TWA 8h, NIOSH

mg m-3

590

Threshold limiting value – TWA 8h, NIOSH

ppm

200

Threshold limiting value – TWA 8h, OSHA

mg m-3

590

Threshold limiting value – TWA 8h, OSHA

ppm

200

Maximum exposure concentration NIOSH-IDLH

mg m-3

9,000

Maximum exposure concentration NIOSH-IDLH

ppm

3,000

Maximum concentration, any time, OSHA

ppm

200

Maximum concentration, 15 min., ACGIH

mg m-3

885

Maximum concentration, 15 min., ACGIH

ppm

300

Maximum concentration, 15 min., NIOSH

mg m

Maximum concentration, 15 min., NIOSH

ppm

300

Maximum concentration, 15 min., OSHA

mg m-3

885

Maximum concentration, 15 min., OSHA

ppm

300

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

2,737

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

6,480

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

Route of entry

Inh, Ing, Con

Skin irritation

Repeated exposure may cause skin dryness or cracking.

Eye irritation

May cause eye irritation.

Inhalation

Vapors may cause drowsiness and dizziness.

Target organs

CNS,Lung

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

Mutagenic properties

N

-3

-1

VALUE

885

100/5M

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

2.03

Biological oxygen demand, 20 days

gg

-1

1.92

Chemical oxygen demand

gg

-1

2.31

Theoretical oxygen demand

g g-1

2.44

Bioconcentration factor

-

0

Biodegradation probability

-

days-weeks

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

674

Methyl ethyl ketone PARAMETER

UNIT

VALUE

Hydroxyl rate constant

cm3 molecule-1 s-1

1.15E-12

Montreal protocol

-

N

Partition coefficient

logKow

0.29

Urban ozone formation potential

C2H4=1

0.04

Soil absorption constant

-

0.72

UV absorption

nm

278

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

675

Methyl hexyl ketone PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Methyl hexyl ketone

CAS #

-

111-13-7

IUPAC name

octan-2-one

Common name

2-octanone

Common synonym

hexyl methyl ketone

Empirical formula

-

Formula

C8H16O

CH3C(CH2)5CH3 O

Molecular mass

daltons

128.22

RTECS number

-

RH1484000

Chemical category

-

ketone

Mixture

-

N

EC number

-

203-837-1

State

-

L

Odor

-

apple

Odor threshold

ppm

248.0

Color

-

colorless

Boiling point

o

C

Freezing point

o

C

Refractive index at 20oC

-

1.4160

Specific gravity

-

0.815

Specific gravity temperature

o

Vapor density

air=1

4.40

Vapor pressure

kPa

0.18

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

0.12

Corrosivity

-

N

Molar volume

cm3 mol-1

156.4

Coefficients of Antoine equation

coefficient A

4.9448

PHYSICAL PROPERTIES

Temperature range of Antoine equation

C

C

173.0 -16.0

25

25

coefficient B

2004.031

coefficient C

-40.324

K

296.7 to 446.0

Viscosity

mPas (cP)

Viscosity temperature

o

Surface tension at 20oC

mN m-1

C

0.95 25 26.60

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

676

Methyl hexyl ketone PARAMETER

UNIT

VALUE

Solubility in water at 20oC

mg kg-1

900

Heat of combustion at 25 C

MJ kg-1

Coefficient of thermal expansion

10

Hansen solubility parameters, (MPa)1/2

dD

16.1

dP

4.7

o

Henry’s law constant

-4 o

39.26

C (K ) -1

-1

9.93

dH

4.0

atm/m3-mol-1

1.88E-04

Flammability

2

Health

1

Reactivity

0

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R21

US safety phrases, S

S23,S36/37

UN number

-

1993

UN/NA hazard class

3

UN packaging group

III

DOT class

3, III

ICAO/IATA class, packaging group

UN 1993 FLAMMABLE LIQUID, N.O.S. (2-OCTANONE), 3, III

IMDG class, packaging group

UN 1993 FLAMMABLE LIQUID, N.O.S. (2-OCTANONE), 3, III

Proper shipping name

flammable liquid, n.o.s. (2-octanone)

Flash point

o

Flash point method

-

CC

Explosion limit, lower

wt%

1.00

Explosion limit, upper

wt%

6.10

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

3,089

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

1,337

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

2,132/6H

C

62.8

Route of entry

Skin, Eye

Ingestion

May cause irritation of the digestive tract.

Skin irritation

Harmful in contact with skin. May cause skin irritation.

Eye irritation

May cause eye irritation.

Inhalation

May cause respiratory tract irritation

Carcinogenicity IARC

N

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

677

Methyl hexyl ketone PARAMETER

UNIT

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

VALUE

ECOLOGICAL PROPERTIES Montreal protocol

-

N

Partition coefficient

logKow

2.37

USE & PERFORMANCE Recommended for products

In perfumes, high-boiling solvent, especially for epoxy resin coatings, leather finishes,flavoring, odorant, anti-blushing agent for nitrocellulose lacquers

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

678

Methyl isoamyl ketone PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Methyl isoamyl ketone

CAS #

-

110-12-3

IUPAC name

5-methylhexan-2-one

Common name

5-methyl-2-hexanone

Common synonym

isoamyl methyl ketone

Acronym

-

MIAK

Empirical formula

-

C7H14O

Formula

CH3CHCH2CH2CCH3 CH3

O

Molecular mass

daltons

114.21

RTECS number

-

MP3850000

Chemical category

-

ketone

Mixture

-

N

EC number

-

203-737-8

Product contents

purity >98.5 wt %

PHYSICAL PROPERTIES State

-

L

Odor

-

characteristic

Odor threshold

ppm

0.012

Color

-

colorless

Boiling point

o

C

145.0

Freezing point

o

C

-74.0

Refractive index at 20 C o

-

1.4070

Specific gravity

-

Specific gravity temperature

o

0.813

Vapor density

air=1

3.90

Vapor pressure

kPa

0.59

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

0.50

Evaporation rate

ether=1

24.2

Enthalpy of vaporization

kJ mol-1

38.50

Enthalpy of vaporization temperature

K

bp

Corrosivity

-

Molar volume

cm mol

Viscosity

mPas (cP)

C

20

C

20

N 3

-1

141.3 0.7

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

679

Methyl isoamyl ketone PARAMETER

UNIT

VALUE

Viscosity temperature

o

Surface tension at 20 C

mN m-1

25.80

Solubility in water at 20 C

mg kg

5,000

Heat of combustion at 25oC

MJ kg-1

Coefficient of thermal expansion

10

Hildebrand solubility parameter

(MPa)

Hansen solubility parameters, (MPa)1/2

dD

16.0

dP

5.7

o

o

Henry’s law constant

C

25

-4 o

-1

38.35

C (K ) -1

-1

1/2

10.50 17.18

dH

4.1

atm/m3-mol-1

1.54E-04

Flammability

2

Health

1

Reactivity

0

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R10,R20

US safety phrases, S

S2,S23,S24/25

UN number

-

2302

UN/NA hazard class

3

UN packaging group

III

DOT class

3, III

ICAO/IATA class, packaging group

UN 2302 5-METHYLHEXAN-2-ONE, 3, III

IMDG class, packaging group

UN 2302 5-METHYLHEXAN-2-ONE, 3, III

Autoignition temperature

o

C

Flash point

o

C

Flash point method

-

TCC

Explosion limit, lower

wt%

1.05

Explosion limit, upper

wt%

8.20

Threshold limiting value – TWA 8h, ACGIH

mg m-3

234

Threshold limiting value – TWA 8h, ACGIH

ppm

50

424 36.0

Threshold limiting value – TWA 8h, NIOSH

mg m

240

Threshold limiting value – TWA 8h, NIOSH

ppm

50

Threshold limiting value – TWA 8h, OSHA

mg m-3

475

Threshold limiting value – TWA 8h, OSHA

ppm

100

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

3,200

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

10,000

-3

-1

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

680

Methyl isoamyl ketone PARAMETER

UNIT

VALUE

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

4,000/4H

Route of entry

Inh, Con, Ing

Ingestion

May cause nausea.

Skin irritation

May cause skin irritation.

Eye irritation

May cause eye irritation.

Inhalation

Cough. Headache. Dizziness. Drowsiness. Labored breathing.

Target organs

CNS,RspSys,Eye,Lvr,Kdny,Stmch

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Theoretical oxygen demand

g g-1

2.80

Bioconcentration factor

-

1.08

Biodegradation probability

-

days-weeks

Hydroxyl rate constant

cm3 molecule-1 s-1

8.42E-12

Montreal protocol

-

N

Partition coefficient

logKow

1.88

Urban ozone formation potential

C2H4=1

0.13

Soil absorption constant

-

1.30

USE & PERFORMANCE Recommended for polymers

Acrylic resins

Recommended for products

Coatings,thinners and purge solvents, polymerization solvent, antiozonants for rubber compounds

Features & benefits

Excellent solvent activity, low density and surface tension

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

681

Methyl isobutyl ketone PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Methyl isobutyl ketone

CAS #

-

108-10-1

IUPAC name

4-methylpentan-2-one

Common name

hexone

Common synonym

4-methyl-2-pentanone

Acronym

-

MIBK

Empirical formula

-

C6H12O

Formula

CH3CHCH2CCH3 CH3

O

Molecular mass

daltons

100.18

RTECS number

-

SA9275000

Chemical category

-

ketone

Mixture

-

N

EC number

-

203-550-1

-

L

PHYSICAL PROPERTIES State Odor

-

pleasant

Odor threshold

ppm

0.68

Color

-

clear, colorless

Boiling point

o

C

116.1

Freezing point

o

C

-84.0

Refractive index at 20 C o

-

1.3940

Specific gravity

-

Specific gravity temperature

o

0.801

Vapor density

air=1

3.50

Vapor pressure

kPa

2.65

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

1.62

Enthalpy of vaporization

kJ mol-1

40.61

Enthalpy of vaporization temperature

K

C

20

C

25

388.9

Donor number

kcal mol

-1

16.0

Polarity parameter, ET(30)

kcal mol-1

39.4

Corrosivity

-

N

Molar volume

cm mol 3

-1

125.8

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

682

Methyl isobutyl ketone PARAMETER

UNIT

VALUE

Coefficients of Antoine equation

coefficient A

3.95298

coefficient B

1254.095

coefficient C

-71.537

Temperature range of Antoine equation

K

294.8 to 389.3

Viscosity

mPas (cP)

0.585

Viscosity temperature

o

Surface tension at 20oC

mN m-1

24.00

Solubility in water at 20 C

mg kg

-1

14,000

Heat of combustion at 25 C

MJ kg

-1

37.20

Specific heat at 25oC

kJ K-1 mol-1

215.81

Coefficient of thermal expansion

10

11.50

Hildebrand solubility parameter

(MPa)

Hansen solubility parameters, (MPa)1/2

dD

15.3

dP

6.1

o

o

C

20

-4 o

C (K ) -1

-1

1/2

17.18

dH

4.1

Henry’s law constant

atm/m3-mol-1

1.38E-04

Relative permittivity

-

13.11

Flammability

3

Health

2

HEALTH & SAFETY NFPA classification

HMIS classification

UN risk phrases, R

Reactivity

0

Flammability

3

Health

1

Reactivity

0

R11,R20,R36/37,R66

US safety phrases, S

S2,S9,S16,S29

UN number

-

UN/NA hazard class

3

UN packaging group

II

ICAO/IATA class, packaging group

UN 1245 METHYL ISOBUTYL KETONE, 3, II

IMDG class, packaging group

UN 1245 METHYL ISOBUTYL KETONE, 3, II

Proper shipping name

methyl isobutyl ketone

Autoignition temperature

o

C

448

Flash point

o

C

15.0

Flash point method

-

SCC

Explosion limit, lower

wt%

1.20

1245

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

683

Methyl isobutyl ketone PARAMETER

UNIT

VALUE

Explosion limit, upper

wt%

8.00

Threshold limiting value – TWA 8h, ACGIH

mg m-3

205

Threshold limiting value – TWA 8h, ACGIH

ppm

50

Threshold limiting value – TWA 8h, NIOSH

mg m-3

205

Threshold limiting value – TWA 8h, NIOSH

ppm

50

Threshold limiting value – TWA 8h, OSHA

mg m

410

Threshold limiting value – TWA 8h, OSHA

ppm

100

Maximum exposure concentration NIOSH-IDLH

mg m-3

12,510

Maximum exposure concentration NIOSH-IDLH

ppm

400

Maximum concentration, any time, NIOSH

mg m-3

205

Maximum concentration, any time, NIOSH

ppm

50

Maximum concentration, 15 min., ACGIH

mg m

Maximum concentration, 15 min., ACGIH

ppm

75

Maximum concentration, 15 min., NIOSH

mg m-3

300

Maximum concentration, 15 min., NIOSH

ppm

75

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

2,080

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

20,000

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

Route of entry

Inh, Ing, Con

Ingestion

Ingestion may cause abdominal pain.

Skin irritation

May cause skin irritation. Repeated exposure may cause skin dryness or cracking

Eye irritation

Causes eye irritation.

Inhalation

May cause respiratory tract irritation. Cough. Diarrhea. Dizziness. Headache.

First aid: eyes

Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid

First aid: skin

Wash off immediately with soap and plenty of water removing all contaminated clothes and shoes . If symptoms persist call a physician

First aid: inhalation

Move person to fresh air. Give artificial respiration if not breathing. Call a physician immediately

Target organs

RspSys,Eye,Skin,CNS

Carcinogenicity IARC

N

-3

-3

-1

307

3,000/6H

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

684

Methyl isobutyl ketone PARAMETER

UNIT

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

Mutagenic properties

N

VALUE

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

1.67

Biological oxygen demand, 20 days

gg

-1

1.55

Chemical oxygen demand

gg

-1

2.16

Theoretical oxygen demand

g g-1

2.72

Bioconcentration factor

-

0.38

Biodegradation probability

-

days-weeks

Hydroxyl rate constant

cm3 molecule-1 s-1

1.41E-11

Montreal protocol

-

N

Partition coefficient

logKow

1.31

Urban ozone formation potential

C2H4=1

0.18

Soil absorption constant

-

1.28

UV absorption

nm

283 (cyclohexane)

USE & PERFORMANCE Recommended for polymers

Acrylic, vinyl-acrylic resins

Recommended for products

Solvent for high solids coatings, automotive coatings, marine coatings, traffic paints, solvent for acrylic adhesives

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

685

Methyl isopropyl ketone PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Methyl isopropyl ketone

CAS #

-

563-80-4

IUPAC name

3-methylbutan-2-one

Common name

3-methyl-2-butanone

Common synonym

isopropyl methyl ketone

Acronym

-

MIPK

Empirical formula

-

C5H10O

Formula

O CH3CHCCH3 CH3

Molecular mass

daltons

86.15

RTECS number

-

EL9100000

Chemical category

-

ketone

Mixture

-

N

EC number

-

209-264-3

Product contents

Typical purity >99%

PHYSICAL PROPERTIES State

-

L

Odor

-

sweet ketone

Odor threshold

ppm

1.90

Color

-

colorless

Boiling point

o

C

Freezing point

o

C

Refractive index at 20oC

-

0.804

Specific gravity

-

20

Specific gravity temperature

o

Vapor density

air=1

Vapor pressure

kPa

25

Evaporation rate

butyl acetate=1

2.90

Enthalpy of vaporization

kJ mol-1

32.35

Enthalpy of vaporization temperature

K

367.4

Donor number

kcal mol-1

17.1

Polarity parameter, ET(30)

kcal mol

40.9

94.0 1.3880

C

3.00

Acid dissociation constant

-

Corrosivity

-

Molar volume

cm mol

7.028

-1

21.0 N 3

-1

107.4

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

686

Methyl isopropyl ketone PARAMETER

UNIT

VALUE

Coefficients of Antoine equation

coefficient A

5.62559

coefficient B

1806.925

coefficient C

-40.618

Temperature range of Antoine equation

K

253.2 to 362.0

Viscosity

mPas (cP)

0.454

Viscosity temperature

o

Surface tension at 20oC

mN m-1

24.61

Solubility in water at 20 C

mg kg

66,000

Heat of combustion at 25 C

MJ kg

Coefficient of thermal expansion

10-4 oC-1 (K-1)

12.0

Hildebrand solubility parameter

(MPa)1/2

17.57

dD

15.8

dP

6.8

o

o

Hansen solubility parameters, (MPa)

1/2

C

25 -1

35.66

-1

dH Henry’s law constant

5.0

atm/m -mol 3

-1

1.13E-04

HEALTH & SAFETY HMIS classification

UN risk phrases, R

Flammability

3

Health

2

Reactivity

0

R11

US safety phrases, S

S9,S16,S33,S2

UN number

-

2397

UN/NA hazard class

3

UN packaging group

II

DOT class

UN 2397 3-methylbutan-2-one, 3, II

ICAO/IATA class, packaging group

UN 2397 3-METHYLBUTAN-2-ONE, 3, II

IMDG class, packaging group

UN 2397 3-METHYLBUTAN-2-ONE, 3, II

Proper shipping name

3-methylbutan-2-one

Autoignition temperature

o

C

Flash point

o

C

Flash point method

-

Explosion limit, upper

wt%

448 2.0 SCC 8.20

Threshold limiting value – TWA 8h, ACGIH

mg m

705

Threshold limiting value – TWA 8h, ACGIH

ppm

200

Threshold limiting value – TWA 8h, NIOSH

mg m-3

705

Threshold limiting value – TWA 8h, NIOSH

ppm

200

-3

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

687

Methyl isopropyl ketone PARAMETER

UNIT

Threshold limiting value – TWA 8h, OSHA

mg m-3

705

Threshold limiting value – TWA 8h, OSHA

ppm

200

Maximum concentration, any time, ACGIH

ppm

20

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

3,078

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

6,350

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

-1

VALUE

6,377/6H

Route of entry

Inh, Ing

Ingestion

Ingestion may cause nausea & vomiting.

Skin irritation

MAY BE ABSORBED!

Eye irritation

May cause eye irritation.

Inhalation

Harmful if inhaled. Inhalation produces burning sensation &. Cough

First aid: eyes

Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid

First aid: skin

Wash off immediately with soap and plenty of water removing all contaminated clothes and shoes . If symptoms persist call a physician

First aid: inhalation

Move person to fresh air. Give artificial respiration if not breathing. Call a physician immediately

Target organs

CNS

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

Mutagenic properties

N

ECOLOGICAL PROPERTIES Theoretical oxygen demand

g g-1

1.67

Bioconcentration factor

-

0.20

Biodegradation probability

85.1% 28 days ready biodegradability

Hydroxyl rate constant

cm3 molecule-1 s-1

2.77E-12

Montreal protocol

-

N

Partition coefficient

logKow

0.84

Urban ozone formation potential

C2H4=1

0.07

Soil absorption constant

-

0.78

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

688

Methyl isopropyl ketone PARAMETER

UNIT

VALUE

USE & PERFORMANCE Recommended for polymers

Nitrocellulose

Recommended for products

Solvent for nitrocellulose lacquers

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

689

Methyl n-butyl ketone PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Methyl n-butyl ketone

CAS #

-

591-78-6

IUPAC name

hexan-2-one

Common name

2-hexanone

Common synonym

propylacetone

Acronym

-

MnBK

Empirical formula

-

C6H12O

Formula

CH3C(CH2)3CH3 O

Molecular mass

daltons

100.18

RTECS number

-

MP1400000

Chemical category

-

ketone

Mixture

-

N

EC number

-

209-731-1

PHYSICAL PROPERTIES State

-

L

Odor

-

acetone-like

Odor threshold

ppm

3.00

Color

-

colorless to yellow

Boiling point

o

C

Freezing point

o

C

Refractive index at 20oC

-

1.40

Specific gravity

-

0.810

Specific gravity temperature

o

Vapor density

air=1

3.50

Vapor pressure

kPa

1.546

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

1.00

Enthalpy of vaporization

kJ mol-1

43.10

Enthalpy of vaporization temperature

K

400.7

Acid dissociation constant

-

-8.30

Corrosivity

-

N

Molar volume

cm3 mol-1

124.1

Coefficients of Antoine equation

coefficient A

5.66715

C

C

127.6 -57.0

25

25

coefficient B

2011.668

coefficient C

-45.364

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

690

Methyl n-butyl ketone PARAMETER

UNIT

VALUE

Temperature range of Antoine equation

K

280.8 to 400.6

Viscosity

mPas (cP)

0.584

Viscosity temperature

o

Surface tension at 20oC

mN m-1

25.50

Solubility in water at 20 C

mg kg

-1

17,500

Heat of combustion at 25 C

MJ kg

-1

37.20

Specific heat at 25oC

kJ K-1 mol-1

Coefficient of thermal expansion

10

Hildebrand solubility parameter

(MPa)

Hansen solubility parameters, (MPa)1/2

dD

15.3

dP

6.1

o

o

C

25

-4 o

C (K ) -1

-1

1/2

213.38 11.20 17.59

dH

4.1

Henry’s law constant

atm/m3-mol-1

1.16E-04

Relative permittivity

-

14.56

Flammability

3

Health

2

HEALTH & SAFETY NFPA classification

HMIS classification

UN risk phrases, R

Reactivity

2

Flammability

3

Health

2

Reactivity

2

R10,R62,R48/23,R67

US safety phrases, S

S1/2,S36/37,S45

UN number

-

UN/NA hazard class

3

UN packaging group

II

DOT class

UN 1224, ketones, liquid, n.o.s. (2-hexanone) 3, II

ICAO/IATA class, packaging group

UN 1224 KETONES, LIQUID, N.O.S. (2-HEXANONE) 3, II

IMDG class, packaging group

UN 1224 KETONES, LIQUID, N.O.S. (2-HEXANONE) 3, II

Proper shipping name

ketones, liquid, n.o.s. (2-hexanone)

Autoignition temperature

o

C

Flash point

o

C

Flash point method

-

CC

Explosion limit, lower

wt%

1.20

Explosion limit, upper

wt%

8.00

1224

423 23.0

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

691

Methyl n-butyl ketone PARAMETER

UNIT

Threshold limiting value – TWA 8h, ACGIH

mg m-3

20

Threshold limiting value – TWA 8h, ACGIH

ppm

5

Threshold limiting value – TWA 8h, NIOSH

mg m-3

4

Threshold limiting value – TWA 8h, NIOSH

ppm

1

Threshold limiting value – TWA 8h, OSHA

mg m-3

410

Threshold limiting value – TWA 8h, OSHA

ppm

100

Maximum exposure concentration NIOSH-IDLH

mg m-3

20,850

Maximum exposure concentration NIOSH-IDLH

ppm

1,600

Maximum concentration, any time, ACGIH

ppm

5

Maximum concentration, any time, NIOSH

mg m-3

4

Maximum concentration, any time, NIOSH

ppm

1

Maximum concentration, any time, OSHA

mg m

Maximum concentration, any time, OSHA

ppm

Maximum concentration, 15 min., ACGIH

ppm

-3

VALUE

410 100 10

Animal testing, acute toxicity, Rat oral LD50

mg kg

-1

2,590

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

4,800

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

8,000/4H

Route of entry

Inh, Abs, Ing, Con

Ingestion

Ingestion may cause abdominal pain.

Skin irritation

Causes mild skin irritation. MAY BE ABSORBED!

Eye irritation

May cause eye irritation.

Inhalation

May be harmful if inhaled. Cough. Headache. Nausea.

First aid: eyes

Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid

First aid: skin

Wash off immediately with soap and plenty of water removing all contaminated clothes and shoes . If symptoms persist call a physician

First aid: inhalation

Move person to fresh air. Give artificial respiration if not breathing. Call a physician immediately

Target organs

CNS,Skin,RspSys,Lvr,Kdny

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

692

Methyl n-butyl ketone PARAMETER

UNIT

Carcinogenicity OSHA

N

Mutagenic properties

N

VALUE

ECOLOGICAL PROPERTIES Theoretical oxygen demand

g g-1

1.76

Aquatic toxicity Fathead minnow, 96-h LC50

mg l-1

428

Bioconcentration factor

-

0.82

Biodegradation probability

-

days-weeks

Hydroxyl rate constant

cm3 molecule-1 s-1

9.10E-12

Montreal protocol

-

N

Partition coefficient

logKow

1.38

Urban ozone formation potential

C2H4=1

0.15

Soil absorption constant

-

1.11

USE & PERFORMANCE Recommended for products

Ketonic solvent used in paints, lacquers, ink thinners, nitrocellulose, glues, resins, oils, fats, and waxes

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

693

Methyl propyl ketone PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Methyl propyl ketone

CAS #

-

107-87-9

IUPAC name

pentan-2-one

Common name

2-pentanone

Acronym

-

MPK

Empirical formula

-

C5H10O

Formula

CH3C(CH2)2CH3 O

Molecular mass

daltons

86.15

RTECS number

-

SA8750000

Chemical category

-

ketone

Mixture

-

N

EC number

-

203-528-1

PHYSICAL PROPERTIES State

-

L

Odor

-

acetone-like

Odor threshold

ppm

11.0

Color

-

colorless

Boiling point

o

C

102.0

Freezing point

o

C

-78.0

Refractive index at 20 C

-

1.3890

Specific gravity

-

0.802

Specific gravity temperature

o

Vapor density

air=1

3.00

Vapor pressure

kPa

4.72

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

2.40

Enthalpy of vaporization

kJ mol-1

33.44

Enthalpy of vaporization temperature

K

375.4

Polarity parameter, ET(30)

kcal mol-1

41.1

Acid dissociation constant

-

20.50

Corrosivity

-

N

Molar volume

cm3 mol-1

107.3

o

C

C

25

25

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

694

Methyl propyl ketone PARAMETER

UNIT

VALUE

Coefficients of Antoine equation

coefficient A

4.14243

coefficient B

1311.145

coefficient C

-58.457

Temperature range of Antoine equation

K

329.8 to 384.8

Viscosity

mPas (cP)

0.489

Viscosity temperature

o

Surface tension at 20oC

mN m-1

33.87

Solubility in water at 20 C

mg kg

-1

43000

Heat of combustion at 25 C

MJ kg

-1

35.66

Specific heat at 25oC

kJ K-1 mol-1

184.35

Coefficient of thermal expansion

10

12.90

Hildebrand solubility parameter

(MPa)

Hansen solubility parameters, (MPa)1/2

dD

16.0

dP

7.6

o

o

C

20

-4 o

C (K ) -1

-1

1/2

18.20

dH

4.7

Henry’s law constant

atm/m3-mol-1

6.36E-05

Relative permittivity

-

13.60

Flammability

3

Health

2

Reactivity

0

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R11

US safety phrases, S

S9,S16,S33

UN number

-

UN/NA hazard class

3

UN packaging group

II

DOT class

3, II

ICAO/IATA class, packaging group

UN 1249 METHYL PROPYL KETONE, 3, II

IMDG class, packaging group

UN 1249 METHYL PROPYL KETONE, 3, II

Proper shipping name

methyl propyl ketone

Autoignition temperature

o

C

452

Flash point

o

C

7.0

Flash point method

-

CC

Explosion limit, lower

wt%

1.50

Explosion limit, upper

wt%

8.20

Threshold limiting value – TWA 8h, ACGIH

mg m-3

705

1249

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

695

Methyl propyl ketone PARAMETER

UNIT

VALUE

Threshold limiting value – TWA 8h, ACGIH

ppm

200

Threshold limiting value – TWA 8h, NIOSH

mg m-3

530

Threshold limiting value – TWA 8h, NIOSH

ppm

150

Threshold limiting value – TWA 8h, OSHA

mg m-3

700

Threshold limiting value – TWA 8h, OSHA

ppm

200 17,900

Maximum exposure concentration NIOSH-IDLH

mg m

Maximum exposure concentration NIOSH-IDLH

ppm

5,000

Maximum concentration, 15 min., ACGIH

mg m-3

881

Maximum concentration, 15 min., ACGIH

ppm

250

Maximum concentration, 15 min., OSHA

mg m-3

875

Maximum concentration, 15 min., OSHA

ppm

250

-3

Animal testing, acute toxicity, Rat oral LD50

mg kg

-1

1,600

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

6,500

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

2,000/4H

Route of entry

Inh, Ing, Con

Ingestion

Ingestion may cause abdominal pain.

Skin irritation

May cause skin irritation.

Eye irritation

May cause eye irritation.

Inhalation

Cough. Dizziness. Dullness. Headache.

Target organs

RspSys,Eye,Skin,CNS

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

Mutagenic properties

N

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

1.18

Chemical oxygen demand

gg

-1

2.31

Theoretical oxygen demand

g g-1

2.60

Bioconcentration factor

-

0.46

Biodegradation probability

-

days-weeks

Hydroxyl rate constant

cm3 molecule-1 s-1

4.90E-12

Montreal protocol

-

N

Partition coefficient

logKow

0.91

Urban ozone formation potential

C2H4=1

0.11

Soil absorption constant

-

0.85

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

696

Methyl propyl ketone PARAMETER

UNIT

VALUE

USE & PERFORMANCE Recommended for products

Coatings: automotive, can and oil, marine, industrial, wood.

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

697

Methyl tert-butyl ketone PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Methyl tert-butyl ketone

CAS #

-

75-97-8

IUPAC name

3,3-dimethylbutan-2-one

Common name

3,3-dimethyl-2-butanone

Common synonym

pinacolone

Empirical formula

-

C6H12O

Formula

H3C H3C

CCCH3 O

Molecular mass

daltons

100.16

RTECS number

-

EL7700000

Chemical category

-

ketone

Mixture

-

N

EC number

-

200-920-4

PHYSICAL PROPERTIES State

-

L

Odor

-

camphoraceous

Color

-

106.0

Boiling point

o

C

-52.0

Freezing point

o

C

1.3950

Specific gravity

-

0.801

Vapor pressure

kPa

4.27

Vapor pressure temperature

o

C

25 50.78

Enthalpy of vaporization

kJ mol

Enthalpy of vaporization temperature

K

Donor number

kcal mol-1

17.0

Polarity parameter, ET(30)

kcal mol

39.0

Molar volume

cm3 mol-1

125.1

Viscosity

mPas (cP)

0.71

Viscosity temperature

o

Corrosivity

-

Heat of combustion at 25oC

MJ kg-1

Hildebrand solubility parameter

(MPa)

Hansen solubility parameters, (MPa)1/2

dD

15.2

dP

5.7

dH

5.3

-1

441.4

C

-1

25 N 1/2

37.2 17.08

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

698

Methyl tert-butyl ketone PARAMETER

UNIT

VALUE

Relative permittivity

-

12.40

Flammability

3

Health

1

Reactivity

0

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R11,R22

US safety phrases, S

S9,S16,S23,S36,S60

UN number

-

UN/NA hazard class

3

UN packaging group

II

DOT class

3, II

1993

TDG class

3, II

ICAO/IATA class, packaging group

UN 1993 FLAMMABLE LIQUID, N.O.S. (3,3-DIMETHYL-2-BUTANONE), 3, II

IMDG class, packaging group

UN 1993 FLAMMABLE LIQUID, N.O.S. (3,3-DIMETHYL-2-BUTANONE), 3, II

Proper shipping name

flammable liquid, n.o.s.

Autoignition temperature

o

C

Flash point

o

C

Animal testing, acute toxicity, Rat oral LD50

mg kg

461 12.0 -1

610

Route of entry

Inh

Ingestion

May cause irritation of the digestive tract.

Skin irritation

May cause skin irritation

Eye irritation

May cause eye irritation

Inhalation

May cause respiratory tract irritation. Vapors may cause dizziness or suffocation.

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Montreal protocol

-

N

Partition coefficient

logKow

1.20

USE & PERFORMANCE Recommended for products

Fungicides and herbicides

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

699

Pentanone, 3PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Pentanone, 3-

CAS #

-

96-22-0

IUPAC name

pentan-3-one

Common name

diethyl ketone

Common synonym

3-pentanone

Empirical formula

-

C5H10O

Formula

CH3CH2CCH2CH3 O

Molecular mass

daltons

86.13

RTECS number

-

SA8050000

Chemical category

-

ketone

Mixture

-

N

EC number

-

202-490-3

PHYSICAL PROPERTIES State

-

L

Odor

-

characteristic

Color

-

colorless

Boiling point

o

C

102

Freezing point

o

C

-42

Refractive index at 20 C o

-

1.3920

Specific gravity

-

Specific gravity temperature

o

0.810

Vapor density

air=1

3.00

Vapor pressure

kPa

3.75

Vapor pressure temperature

o

C

25

C

20 33.45

Enthalpy of vaporization

kJ mol

Enthalpy of vaporization temperature

K

Acceptor number

-

Donor number

kcal mol

Polarity parameter, ET(30)

kcal mol-1

39.3

Acid dissociation constant

-

19.00

Corrosivity

-

N

Molar volume

cm3 mol-1

106.4

Coefficients of Antoine equation

coefficient A

2.86542

-1

375.2 22.2 -1

15

coefficient B

716.17

coefficient C

-125.978

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

700

Pentanone, 3PARAMETER

UNIT

VALUE

Temperature range of Antoine equation

K

309.5 to 374.8

Viscosity

mPas (cP)

0.47

Viscosity temperature

o

Surface tension at 20oC

mN m-1

24.70

Heat of combustion at 25 C

MJ kg

35.66

Hildebrand solubility parameter

(MPa)

Hansen solubility parameters, (MPa)1/2

dD

15.8

dP

7.6

o

C

20 -1 1/2

17.67

dH

4.7

Henry’s law constant

atm/m3-mol-1

1.20E-04

Relative permittivity

-

15.40

Flammability

3

Health

1

Reactivity

0

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R11,R37,R66,R67

US safety phrases, S

S9,S16,S25,S33

UN number

-

UN/NA hazard class

3

UN packaging group

II

1156

DOT class

3, II

ICAO/IATA class, packaging group

UN 1156 DIETHYL KETONE, 3, II

IMDG class, packaging group

UN 1156 DIETHYL KETONE, 3, II

Proper shipping name

diethyl ketone

Autoignition temperature

o

C

Flash point

o

C

Flash point method

-

OC

Explosion limit, lower

wt%

1.60

Explosion limit, upper

wt%

3.00

Threshold limiting value – TWA 8h, ACGIH

mg m-3

705

Threshold limiting value – TWA 8h, ACGIH

ppm

200

452 13.0

Threshold limiting value – TWA 8h, NIOSH

mg m

705

Threshold limiting value – TWA 8h, NIOSH

ppm

200

Threshold limiting value – TWA 8h, OSHA

mg m-3

705

Threshold limiting value – TWA 8h, OSHA

ppm

200

Maximum concentration, any time, ACGIH

ppm

200

Maximum concentration, 15 min., ACGIH

ppm

300

-3

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

701

Pentanone, 3PARAMETER

UNIT

VALUE

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

2,100

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

20,000

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

8,000/4H

Route of entry

Inh, Skin

Ingestion

May be harmful if swallowed.

Skin irritation

Repeated exposure may cause skin dryness or cracking.

Eye irritation

May cause eye irritation.

Inhalation

Inhalation of vapors may cause drowsiness and dizziness.

First aid: eyes

Rinse eyes immediately with large amounts of water for at least 15 minutes, occasionally lifting the eyelids

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Montreal protocol

-

N

Partition coefficient

logKow

0.99

USE & PERFORMANCE Recommended for products

Solvent for paints and as a starting material for organic synthesis

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

702

3.16 Nitriles Acetonitrile PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Acetonitrile

CAS #

-

75-05-8

IUPAC name

acetonitrile

Common name

cyanomethane

Common synonym

ethanenitrile

Empirical formula

-

C2H3N

Formula

CH3C N

Molecular mass

daltons

41.06

RTECS number

-

AL7700000

Chemical category

-

nitrile

Mixture

-

N

EC number

-

218-616-5

State

-

L

Odor

-

aromatic

Odor threshold

ppm

70.0

Color

-

colorless

Boiling point

o

C

Freezing point

o

C

Refractive index at 20oC

-

1.3440

Specific gravity

-

0.782

Specific gravity temperature

o

Vapor density

air=1

1.40

Vapor pressure

kPa

9.6

Vapor pressure temperature

o

C

20

Evaporation rate

butyl acetate=1

PHYSICAL PROPERTIES

81.6 -45.0

C

20

Enthalpy of vaporization

kJ mol

Enthalpy of vaporization temperature

K

Acceptor number

-

2.30 33.20

-1

298.2 18.9

Donor number

kcal mol

-1

14.1

Polarity parameter, ET(30)

kcal mol-1

45.6

Corrosivity

-

N

Molar volume

cm mol 3

-1

52.9

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

703

3.16 Nitriles Acetonitrile PARAMETER

UNIT

VALUE

Coefficients of Antoine equation

coefficient A

4.27873

coefficient B

1355.374

coefficient C

-37.853

Temperature range of Antoine equation

K

288.2 to 362.3

Viscosity

mPas (cP)

0.358

Viscosity temperature

o

Surface tension at 20oC

mN m-1

29.40

Solubility in water at 20 C

mg kg

-1

miscible

Heat of combustion at 25 C

MJ kg

-1

30.38

Specific heat at 25oC

kJ K-1 mol-1

226.5

Coefficient of thermal expansion

10

13.50

Hildebrand solubility parameter

(MPa)

Hansen solubility parameters, (MPa)1/2

dD

15.3

dP

18.0

o

o

C

20

-4 o

C (K ) -1

-1

1/2

23.67

dH

6.1

Henry’s law constant

atm/m3-mol-1

2.00E-05

Relative permittivity

-

37.50

Flammability

3

Health

2

HEALTH & SAFETY NFPA classification

HMIS classification

Reactivity

0

Flammability

3

Health

2

Reactivity

0

UN risk phrases, R

R11,R20/21/22,R36/37/38,R10,R23/24/2 5,R41,R24,R20/22

US safety phrases, S

S16,S36/37,S45;S36/37/39,S27,26,36

UN number

-

1648

UN/NA hazard class

3

UN packaging group

II

DOT class

3, II Acetonitrile

ICAO/IATA class, packaging group

3, II Acetonitrile

IMDG class, packaging group

3, II Acetonitrile

Proper shipping name

Highly Flammable Liquids, acetonitrile

Autoignition temperature

o

C

524

Flash point

o

C

6.0

Flash point method

-

CC

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

704

3.16 Nitriles Acetonitrile PARAMETER

UNIT

VALUE

Explosion limit, lower

wt%

3.00

Explosion limit, upper

wt%

16.00

Threshold limiting value – TWA 8h, ACGIH

mg m

67

Threshold limiting value – TWA 8h, ACGIH

ppm

20

Threshold limiting value – TWA 8h, NIOSH

mg m-3

34

Threshold limiting value – TWA 8h, NIOSH

ppm

20

Threshold limiting value – TWA 8h, OSHA

mg m-3

70

Threshold limiting value – TWA 8h, OSHA

ppm

40

-3

840

Maximum exposure concentration NIOSH-IDLH

mg m

Maximum exposure concentration NIOSH-IDLH

ppm

500

Maximum concentration, any time, ACGIH

mg m-3

67

Maximum concentration, any time, ACGIH

ppm

40

Maximum concentration, any time, NIOSH

mg m-3

34

Maximum concentration, any time, NIOSH

ppm

20

Maximum concentration, any time, OSHA

mg m

Maximum concentration, any time, OSHA

ppm

Maximum concentration, 15 min., ACGIH

mg m-3

101

Maximum concentration, 15 min., ACGIH

ppm

60

Maximum concentration, 15 min., OSHA

ppm

-3

70

-3

40

60

Animal testing, acute toxicity, Rat oral LD50

mg kg

-1

175

Animal testing, acute toxicity, Mouse oral LD50

mg kg-1

269

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

369

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

-1

7,500/8H

Route of entry

Inh, Ing, Skin, Eye

Ingestion

Harmful if swallowed

Skin irritation

Causes skin irritation

Eye irritation

May cause severe eye irritation

Inhalation

Harmful if inhaled

First aid: eyes

Immediately flush with plenty of water

First aid: skin

Immediately flush skin with water

First aid: inhalation

Remove to fresh air. If not breathing, give artificial respiration

Chronic effects

This material can produce cyanide-like effect. Target central nervous system, liver

Target organs

Lvr, Nervous system

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

705

3.16 Nitriles Acetonitrile PARAMETER

UNIT

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

VALUE

ECOLOGICAL PROPERTIES Montreal protocol

-

N

Partition coefficient

logKow

-0.34

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

706

Benzonitrile PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Benzonitrile

CAS #

-

100-47-0

IUPAC name

benzonitrile

Common name

cyanobenzene

Common synonym

phenyl cyanide

Empirical formula

-

C7H5N

Formula CN

Molecular mass

daltons

103.1

RTECS number

-

DI2450000

Chemical category

-

nitrile

Mixture

-

N

EC number

-

202-855-7

-

L

PHYSICAL PROPERTIES State Odor

-

almond

Odor threshold

ppm

0.029

Color

-

clear, colorless

Boiling point

o

C

190.7

Freezing point

o

C

-12.80

Refractive index at 20 C o

-

1.5200

Specific gravity

-

Specific gravity temperature

o

1.246

Vapor density

air=1

3.60

Vapor pressure

kPa

0.1

Vapor pressure temperature

o

C

20

Acceptor number

-

Donor number

kcal mol-1

11.9

Polarity parameter, ET(30)

kcal mol

41.5

C

20

15.5 -1

Corrosivity

-

N

Molar volume

cm3 mol-1

103.0

Coefficients of Antoine equation

coefficient A

4.85401

coefficient B

2110.572

coefficient C

-28.331

Temperature range of Antoine equation

K

301.3 to 463.7

Viscosity

mPas (cP)

1.24

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

707

Benzonitrile PARAMETER

UNIT

Viscosity temperature

o

Surface tension at 20 C

mN m-1

39.05

Solubility in water at 20 C

mg kg

poor

Hildebrand solubility parameter

(MPa)1/2

22.30

dD

18.8

dP

12.0

dH

3.3

-

26.0

Flammability

2

Health

2

o

o

Hansen solubility parameters, (MPa)

1/2

Relative permittivity

C

VALUE 25

-1

HEALTH & SAFETY NFPA classification

HMIS classification

Reactivity

0

Flammability

2

Health

2

Reactivity

0

UN risk phrases, R

R21/22

US safety phrases, S

S2,S23

UN number

-

UN/NA hazard class

6.1

UN packaging group

II

2224

DOT class

UN 2224 Benzonitrile 6.1, II

ICAO/IATA class, packaging group

UN 2224 BENZONITRILE, 6.1, II

IMDG class, packaging group

UN 2224 BENZONITRILE, 6.1, II

Proper shipping name

benzonitrile

Autoignition temperature

o

C

Flash point

o

C

Flash point method

-

CC

Explosion limit, lower

wt%

1.30

Explosion limit, upper

wt%

8.00

Animal testing, acute toxicity, Mouse oral LD50

mg kg-1

971

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

1,200

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

950/8H

550 75.0

Route of entry

Intraperitoneal, Subcutaneous

Ingestion

Harmful if swallowed

Skin irritation

Harmful if absorbed through skin. Causes skin irritation

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

708

Benzonitrile PARAMETER

UNIT

VALUE

Eye irritation

Causes eye irritation

Inhalation

May be harmful if inhaled. Causes respiratory tract irritation

First aid: eyes

Immediately flush eyes with water for 15 minutes. Consult a physician if irritation persists

First aid: skin

Wash off with soap and plenty of water. Consult physician

First aid: inhalation

Move person into fresh air. If not breathing, give artificial respiration. Consult a physician

Target organs

CNS,Blood,Lvr,Heart

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Montreal protocol

-

N

Partition coefficient

logKow

1.56

USE & PERFORMANCE Recommended for polymers

rubber

Recommended for products

rubber, resins, lacquers, synthesis intermediate

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

709

Cyanoethane PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Cyanoethane

CAS #

-

107-12-0

IUPAC name

propanenitrile

Common name

propionitrile

Common synonym

ethyl cyanide

Acronym

-

PACN

Empirical formula

-

C3H5N

Formula

CH3CH2CN

Molecular mass

daltons

55.08

RTECS number

-

UF9625000

Chemical category

-

nitrile

Mixture

-

N

EC number

-

203-464-4

PHYSICAL PROPERTIES State

-

L

Odor

-

ether like

Color

-

colorless

Boiling point

o

C

97.0

Freezing point

o

C

-93.0

Refractive index at 20 C o

-

1.3630

Specific gravity

-

Specific gravity temperature

o

Vapor pressure

kPa

Vapor pressure temperature

o

Enthalpy of vaporization

kJ mol-1

36.12

Enthalpy of vaporization temperature

K

298.2

Acceptor number

-

Donor number

kcal mol

-1

Polarity parameter, ET(30)

kcal mol

-1

Corrosivity

-

N

Molar volume

cm3 mol-1

70.9

Coefficients of Antoine equation

coefficient A

3.61732

coefficient B

1036.424

coefficient C

-83.76

K

308.6 to 370.5

Temperature range of Antoine equation

0.783

C

21 6.37

C

25

19.7 16.1 43.6

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

710

Cyanoethane PARAMETER

UNIT

Viscosity

mPas (cP)

Viscosity temperature

o

Solubility in water at 20oC

mg kg-1

34,000

Coefficient of thermal expansion

10-4 oC-1 (K-1)

12.40

Hildebrand solubility parameter

(MPa)1/2

21.40

dD

15.3

dP

14.3

Hansen solubility parameters, (MPa)

1/2

VALUE 0.41

C

25

dH Henry’s law constant

5.5

atm/m -mol 3

-1

3.40E-05

HEALTH & SAFETY NFPA classification

HMIS classification

UN risk phrases, R

Flammability

3

Health

4

Reactivity

1

Flammability

3

Health

4

Reactivity

1

R11,R20,R25,R27,R36

US safety phrases, S

S9,S16,S28,S36/37,S45

UN number

-

UN/NA hazard class

3

UN packaging group

II

DOT class

3, II

ICAO/IATA class, packaging group

forbidden

IMDG class, packaging group

UN 2404 PROPIONITRILE, 3 (6.1), II

Proper shipping name

propionitrile

Autoignition temperature

o

C

512

Flash point

o

C

2.0

Flash point method

-

CC

Explosion limit, lower

wt%

3.10

Explosion limit, upper

wt%

Threshold limiting value – TWA 8h, NIOSH

mg m

14

Threshold limiting value – TWA 8h, NIOSH

ppm

6

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

39

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

210

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

Ingestion

Harmful if swallowed

2404

14.00 -3

-1

500/4H

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

711

Cyanoethane PARAMETER

UNIT

VALUE

Skin irritation

May be fatal if absorbed through skin. May cause skin irritation

Eye irritation

Causes eye irritation

Inhalation

Causes respiratory tract irritation

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Montreal protocol

-

N

Partition coefficient

logKow

0.16

USE & PERFORMANCE Manufacturer

Solutia, TCI America, GFS Chemicals, Inc.

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

712

Nitrobenzene PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Nitrobenzene

CAS #

-

98-95-3

IUPAC name

nitrobenzene

Common name

nitrobenzol

Common synonym

essence of mirbane

Empirical formula

-

C6H5NO2

Formula

NO2 Molecular mass

daltons

123.1

RTECS number

-

DA6475000

Chemical category

-

nitrile

Mixture

-

N

EC number

-

202-716-0

PHYSICAL PROPERTIES State

-

L

Odor

-

almonds

Odor threshold

ppm

0.015

Color

-

yellow

Boiling point

o

C

210.0

Freezing point

o

C

5.0

Refractive index at 20 C

-

1.5500

Specific gravity

-

1.200

Specific gravity temperature

o

Vapor density

air=1

4.20

Vapor pressure

kPa

0.02

Vapor pressure temperature

o

Enthalpy of vaporization

kJ mol-1

56.10

Enthalpy of vaporization temperature

K

291.0

Acceptor number

-

14.8

Donor number

kcal mol-1

4.4

Polarity parameter, ET(30)

kcal mol

-1

41.2

Molar volume

cm mol

-1

102.7

Coefficients of Antoine equation

coefficient A

4.21553

coefficient B

1727.592

coefficient C

-73.438

o

C

25

C

20

3

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

713

Nitrobenzene PARAMETER

UNIT

VALUE

Temperature range of Antoine equation

K

407.2 to 483.8

Viscosity

mPas (cP)

1.78

Viscosity temperature

o

Surface tension at 20oC

mN m-1

Solubility in water at 20 C

mg kg

Coefficient of thermal expansion

10

Hildebrand solubility parameter

(MPa)1/2

21.70

dD

20.0

dP

10.6

o

Hansen solubility parameters, (MPa)

1/2

C

25

-4 o

43.90 2,000

-1

C (K ) -1

-1

dH

8.14

3.1

Henry’s law constant

atm/m -mol

Relative permittivity

-

34.80

Flammability

2

Health

3

Reactivity

1

3

-1

2.40E-05

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R40,R62,R23/24/25,R48/23/24,R51,R53

US safety phrases, S

S1/2,S28S36/37,S45,S61

UN number

-

UN/NA hazard class

6.1

UN packaging group

II

DOT class

6.1, II

ICAO/IATA class, packaging group

UN 1662 NITROBENZENE, 6.1, II

IMDG class, packaging group

UN 1662 NITROBENZENE, 6.1, II

Proper shipping name

nitrobenzene

Autoignition temperature

o

C

480

Flash point

o

C

88.0

Flash point method

-

CC

Explosion limit, lower

wt%

1.80

Explosion limit, upper

wt%

Threshold limiting value – TWA 8h, ACGIH

mg m

5

Threshold limiting value – TWA 8h, ACGIH

ppm

1

Threshold limiting value – TWA 8h, NIOSH

mg m-3

5

Threshold limiting value – TWA 8h, NIOSH

ppm

1

Threshold limiting value – TWA 8h, OSHA

mg m-3

5

Threshold limiting value – TWA 8h, OSHA

ppm

1

Maximum exposure concentration NIOSH-IDLH

ppm

200

1662

40.0 -3

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

714

Nitrobenzene PARAMETER

UNIT

VALUE

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

590

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

600

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

1,260/4H

Route of entry

Skin, Inh

Skin irritation

MAY BE ABSORBED!

Inhalation

Inhalation produces headache, blue lips or finger nails, blue skin, dizziness.

Carcinogenicity IARC

2B

Carcinogenicity NTP

P

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

0

Theoretical oxygen demand

g g-1

1.95

Montreal protocol

-

N

Partition coefficient

logKow

1.85

-

BASF AG, DuPont

USE & PERFORMANCE Manufacturer

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

715

Nitroethane PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Nitroethane

CAS #

-

IUPAC name

1-nitroethane

Acronym

-

NE

Empirical formula

-

C2H5NO2

79-24-3

Formula

CH3CH2NO2

Molecular mass

daltons

75.07

RTECS number

-

KI5600000

Chemical category

-

nitrile

Mixture

-

N

EC number

-

201-188-9

Moisture content

wt%

<0.2

Product contents

Nitroethane >98 wt%

PHYSICAL PROPERTIES State

-

L

Odor

-

characteristic

Odor threshold

ppm

163.0

Color

-

colorless

Boiling point

o

C

114.1

Freezing point

o

C

-89.50

Refractive index at 20 C o

-

1.3919

Specific gravity

-

Specific gravity temperature

o

Vapor density

air=1

2.50

Vapor pressure

kPa

2.79

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

1.21

Evaporation rate

ether=1

11.0

Donor number

kcal mol-1

Polarity parameter, ET(30)

kcal mol

Acid dissociation constant

-

8.46

Molar volume

cm3 mol-1

72.0

Coefficients of Antoine equation

coefficient A

4.71267

coefficient B

1671.266

coefficient C

-31.963

K

252.0 to 387.0

Temperature range of Antoine equation

1.045

C

25

C

25

-1

5.0 43.6

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

716

Nitroethane PARAMETER

UNIT

VALUE

Viscosity

mPas (cP)

Viscosity temperature

o

Surface tension at 20oC

mN m-1

Solubility in water at 20oC

mg kg-1

Coefficient of thermal expansion

10

Hildebrand solubility parameter

(MPa)

Hansen solubility parameters, (MPa)1/2

dD

16.0

dP

15.5

0.677

C

20

-4 o

32.66 46,000

C (K ) -1

-1

1/2

11.20 22.30

dH

4.5

Henry’s law constant

atm/m3-mol-1

3.90E-05

Relative permittivity

-

28.06

Flammability

3

Health

1

Reactivity

3

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R10,R20/22

US safety phrases, S

S9,S25,S41

UN number

-

UN/NA hazard class

3

UN packaging group

III

ICAO/IATA class, packaging group

UN 2842 NITROETHANE, 3, III

IMDG class, packaging group

UN 2842 NITROETHANE, 3, III

Proper shipping name

nitroethane

Autoignition temperature

o

C

414

Flash point

o

C

41.1

Flash point method

-

TCC

Explosion limit, lower

wt%

3.40

Explosion limit, upper

wt%

2842

40.0

Threshold limiting value – TWA 8h, ACGIH

mg m

307

Threshold limiting value – TWA 8h, ACGIH

ppm

100

Threshold limiting value – TWA 8h, NIOSH

mg m-3

310

Threshold limiting value – TWA 8h, NIOSH

ppm

100

Threshold limiting value – TWA 8h, OSHA

mg m-3

310

Threshold limiting value – TWA 8h, OSHA

ppm

100

Maximum exposure concentration NIOSH-IDLH

ppm

Animal testing, acute toxicity, Rat oral LD50

mg kg

-3

1,000 -1

1,625

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

717

Nitroethane PARAMETER

UNIT

VALUE

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

13,000/6H

Route of entry

Inh, Skin, Eye

Skin irritation

May cause skin irritation.

Eye irritation

May cause eye irritation.

Inhalation

Inhalation produces headache, cough, dizziness, shortness of breath & convulsions.

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Montreal protocol

-

N

Partition coefficient

logKow

0.18

USE & PERFORMANCE Recommended for products

coatings, reaction medium, separation processes, fuel component, intermediates

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

718

Nitromethane PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Nitromethane

CAS #

-

75-52-5

IUPAC name

nitromethane

Common name

nitrocarbol

Common synonym

mononitromethane

Acronym

-

NM

Empirical formula

-

CH3NO2

Formula

CH3NO2

Molecular mass

daltons

61.04

RTECS number

-

PA9800000

Chemical category

-

nitrile

Mixture

-

N

EC number

-

200-876-6

PHYSICAL PROPERTIES State

-

L

Odor

-

characteristic

Color

-

colorless

Boiling point

o

C

101.2

Freezing point

o

C

-29.0

Refractive index at 20 C o

-

1.3786

Specific gravity

-

Specific gravity temperature

o

1.138

Vapor density

air=1

2.11

Vapor pressure

kPa

3.6

Vapor pressure temperature

o

C

20

Evaporation rate

butyl acetate=1

1.39

Evaporation rate

ether=1

9.0

Enthalpy of vaporization

kJ mol

33.99

Enthalpy of vaporization temperature

K

Acceptor number

-

Donor number

kcal mol

-1

Polarity parameter, ET(30)

kcal mol

-1

Acid dissociation constant

-

10.21

Molar volume

cm3 mol-1

54.1

C

20

-1

374.4 20.5 2.7 46.3

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

719

Nitromethane PARAMETER

UNIT

VALUE

Coefficients of Antoine equation

coefficient A

4.40542

coefficient B

1446.196

coefficient C

-45.633

Temperature range of Antoine equation

K

328.9 to 409.5

pH

-

6.1

Viscosity

mPas (cP)

Viscosity temperature

o

Surface tension at 20oC

mN m-1

Solubility in water at 20 C

mg kg

Coefficient of thermal expansion

10-4 oC-1 (K-1)

11.20

Hildebrand solubility parameter

(MPa)1/2

25.24

dD

15.8

dP

18.8

o

Hansen solubility parameters, (MPa)

1/2

0.647

C

20 37.48 105,000

-1

dH

6.1

Henry’s law constant

atm/m -mol

Relative permittivity

-

35.87

Flammability

3

Health

1

Reactivity

4

3

-1

2.86E-04

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R5,R10,R22

US safety phrases, S

S41

UN number

-

UN/NA hazard class

3

UN packaging group

II

1261

DOT class

3, II

ICAO/IATA class, packaging group

forbidden

IMDG class, packaging group

UN 1261 NITROMETHANE, 3, II

Proper shipping name

nitromethane

Autoignition temperature

o

C

418

Flash point

o

C

44.4

Flash point method

-

Explosion limit, lower

wt%

TCC 7.30

Threshold limiting value – TWA 8h, ACGIH

mg m

50

Threshold limiting value – TWA 8h, ACGIH

ppm

20

Threshold limiting value – TWA 8h, OSHA

mg m-3

250

Threshold limiting value – TWA 8h, OSHA

ppm

100

-3

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

720

Nitromethane PARAMETER

UNIT

VALUE

Maximum exposure concentration NIOSH-IDLH

ppm

750

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

1,210

Route of entry

Inh, Skin, Eye

Skin irritation

May cause skin irritation.

Eye irritation

May cause eye irritation.

Inhalation

Inhalation produces headache, cough, nausea, & sore throat.

Carcinogenicity NTP

P

ECOLOGICAL PROPERTIES Montreal protocol

-

N

Partition coefficient

logKow

-0.35

USE & PERFORMANCE Recommended for products

coatings, reaction medium, separation processes, fuel component, intermediates

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

721

Nitropropane, 1PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Nitropropane, 1-

CAS #

-

IUPAC name

1-nitropropane

Acronym

-

1-NP

Empirical formula

-

C3H7NO2

108-03-2

Formula

CH3CH2CH2NO2

Molecular mass

daltons

89.09

RTECS number

-

TZ5075000

Chemical category

-

nitrile

Mixture

-

N

EC number

-

203-544-9

-

L

PHYSICAL PROPERTIES State Odor

-

characteristic

Color

-

colorless

Boiling point

o

C

Freezing point

o

C

Refractive index at 20oC

-

131.2 -108.0 1.4016

Specific gravity

-

Specific gravity temperature

o

1.001

Vapor density

air=1

3.06

Vapor pressure

kPa

1.36

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

0.80

Evaporation rate

ether=1

16.0

Acid dissociation constant

-

8.98

Corrosivity

-

Molar volume

cm mol

Coefficients of Antoine equation

coefficient A

C

20

C

25

N 3

Temperature range of Antoine equation

-1

89.5 4.23774

coefficient B

1466.368

coefficient C

-58.029

K

331.8 to 404.5

Viscosity

mPas (cP)

Viscosity temperature

o

Surface tension at 20oC

mN m-1

30.64

Solubility in water at 20 C

mg kg

15,000

o

C

0.844 20

-1

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

722

Nitropropane, 1PARAMETER

UNIT

VALUE

Coefficient of thermal expansion

10-4 oC-1 (K-1)

10.10

Hildebrand solubility parameter

(MPa)1/2

21.11

dD

16.6

dP

12.3

Hansen solubility parameters, (MPa)

1/2

dH

5.5

Henry’s law constant

atm/m -mol

Relative permittivity

-

23.24

Flammability

3

Health

1

Reactivity

2

3

-1

8.50E-05

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R10,R20/21/22

US safety phrases, S

S9

UN number

-

2608

UN/NA hazard class

3

UN packaging group

II

DOT class

3, III

ICAO/IATA class, packaging group

UN 2608 NITROPROPANES, 3, III

IMDG class, packaging group

UN 2608 NITROPROPANES, 3, III

Proper shipping name

nitropropanes

Autoignition temperature

o

C

420

Flash point

o

C

48.9

Flash point method

-

Explosion limit, lower

wt%

Threshold limiting value – TWA 8h, ACGIH

mg m

91

Threshold limiting value – TWA 8h, ACGIH

ppm

25

Threshold limiting value – TWA 8h, NIOSH

mg m-3

90

Threshold limiting value – TWA 8h, NIOSH

ppm

25

TCC 2.20 -3

Threshold limiting value – TWA 8h, OSHA

mg m

90

Threshold limiting value – TWA 8h, OSHA

ppm

25

Maximum exposure concentration NIOSH-IDLH

ppm

-3

1,000 455

Animal testing, acute toxicity, Rat oral LD50

mg kg

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

Skin irritation

May cause skin irritation.

Eye irritation

May cause eye irritation.

Inhalation

Inhalation produces headache, nausea, vomiting

-1

3,100/8H

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

723

Nitropropane, 1PARAMETER

UNIT

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

VALUE

ECOLOGICAL PROPERTIES Montreal protocol

-

N

Partition coefficient

logKow

0.87

USE & PERFORMANCE Recommended for products

coatings, reaction medium, separation processes, fuel component, intermediates

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

724

Nitropropane, 2PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Nitropropane, 2-

CAS #

-

79-46-9

IUPAC name

2-nitropropane

Common name

sec-nitropropane

Common synonym

isonitropropane

Acronym

-

2-NP

Empirical formula

-

C3H7NO2

Formula

O

N O

Molecular mass

daltons

89.09

RTECS number

-

TZ5250000

Mixture

-

N

EC number

-

201-209-1

PHYSICAL PROPERTIES State

-

L

Odor

-

mild, fruity

Odor threshold

ppm

25

Color

-

colorless

Boiling point

o

C

120.3

Freezing point

o

C

-93

Refractive index at 20 C

-

1.3944

Specific gravity

-

0.988

Specific gravity temperature

o

Vapor density

air=1

3.06

Vapor pressure

kPa

2.4

Vapor pressure temperature

o

C

25

Evaporation rate

butyl acetate=1

0.71

Evaporation rate

ether=1

10.0

o

C

20

Polarity parameter, ET(30)

kcal mol

Acid dissociation constant

-

Corrosivity

-

Molar volume

cm mol

-1

42.0 7.67 N

3

-1

90.6

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

725

Nitropropane, 2PARAMETER

UNIT

VALUE

Coefficients of Antoine equation

coefficient A

4.61144

coefficient B

1664.036

coefficient C

-32.155

Temperature range of Antoine equation

K

254.3 to 393.4

Viscosity

mPas (cP)

0.77

Viscosity temperature

o

Surface tension at 20oC

mN m-1

29.87

Solubility in water at 20 C

mg kg

17,000

Heat of combustion at 25 C

MJ kg

Coefficient of thermal expansion

10-4 oC-1 (K-1)

10.4

Hildebrand solubility parameter

(MPa)1/2

19.92

dD

16.2

dP

12.1

o

o

Hansen solubility parameters, (MPa)

1/2

C

20 -1

22.46

-1

dH

4.1

Henry’s law constant

atm/m -mol

Relative permittivity

-

25.52

Flammability

3

Health

2

Reactivity

1

3

-1

1.20E-04

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R10,R20/21/22

US safety phrases, S

S9

UN number

-

UN/NA hazard class

3

UN packaging group

III

Autoignition temperature

o

C

428

Flash point

o

C

37.8

Flash point method

-

TCC

Explosion limit, lower

wt%

2.5

Threshold limiting value – TWA 8h, ACGIH

mg m-3

36

Threshold limiting value – TWA 8h, ACGIH

ppm

10

2608

Threshold limiting value – TWA 8h, OSHA

mg m

36

Threshold limiting value – TWA 8h, OSHA

ppm

10

Maximum exposure concentration NIOSH-IDLH

ppm

100

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

400-725

Animal testing, acute toxicity, Mouse oral LD50

mg kg

400

-3

-1

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

726

Nitropropane, 2PARAMETER

UNIT

VALUE

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

>2,000

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

400/6H-1,513/4.5H

Route of entry

Inh, Skin

Skin irritation

May cause skin irritation.

Inhalation

Inhalation produces headache, cough, dizziness, nausea.

Carcinogenicity IARC

2B

Carcinogenicity NTP

P

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Aquatic toxicity, Daphnia magna, 24-h LC50 Aquatic toxicity Fathead minnow, 96-h LC50

mg l-1

290

mg l-1

4.71

Montreal protocol

-

N

Partition coefficient

logKow

0.93

Manufacturer

-

Yuhao Chemical

Recommended for polymers

vinyl resins

Recommended for products

coatings, reaction medium, separation processes, fuel component, intermediates, food extraction solvent, coatings, inks, dyes, adhesives

USE & PERFORMANCE

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

727

3.17 Perfluorocarbon Perfluorodecalin PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Perfluorodecalin

CAS #

-

IUPAC name

1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8aoctadecafluorodecalin

Common name

octadecafluorodecahydronaphthalene

Common synonym

naphthalene, decahydrooctadecafluoro-

Empirical formula

-

306-94-5

C10F18

Formula F

F

F F

F

F

F

F F F

F

F

F

F

F F

F

F

Molecular mass

daltons

462.08

RTECS number

-

QJ3175000

Chemical category

-

perfluorocarbon

Mixture

-

Y

EC number

-

206-192-4

Product contents

perfluorodecalin, mixture of cis and trans

PHYSICAL PROPERTIES State

-

L

Odor

-

odorless

Color

-

colorless

Boiling point

o

C

142.0

Freezing point

o

C

-5.0

Refractive index at 20 C o

-

1.2950

Specific gravity

-

Specific gravity temperature

o

1.941

Vapor pressure

kPa

Vapor pressure temperature

o

Molar volume

cm mol

Viscosity

mPas (cP)

Viscosity temperature

o

Surface tension at 20oC

mN m-1

Hildebrand solubility parameter

(MPa)

Hansen solubility parameters, (MPa)1/2

dD

12.4

dP

0.0

dH

0.0

C

25 0.88

C

25 3

C

-1

251.9 5.1 25

1/2

17.60 13.15

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

728

3.17 Perfluorocarbon Perfluorodecalin PARAMETER

UNIT

VALUE

Flammability

2

Health

1

HEALTH & SAFETY NFPA classification

Reactivity

0

UN number

-

1993

UN/NA hazard class

3

UN packaging group

III

DOT class

3, III

ICAO/IATA class, packaging group

UN 1993 FLAMMABLE LIQUID, N.O.S. (PERFLUORODECALIN), 3, III

IMDG class, packaging group

UN 1993 FLAMMABLE LIQUID, N.O.S. (PERFLUORODECALIN), 3, III

Proper shipping name

perfluorodecalin

Ingestion

May cause gastrointestinal irritation with nausea, vomiting and diarrhea.

Skin irritation

May cause irritation and dermatitis.

Eye irritation

May cause eye irritation. May cause chemical conjunctivitis and corneal damage.

Inhalation

May cause respiratory tract irritation. Aspiration may lead to pulmonary edema.

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Biodegradation probability

readily biodegradable

Partition coefficient

logKow

7.80

-

F2 Chemical, Ltd

USE & PERFORMANCE Manufacturer

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

729

Perfluoroheptane PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Perfluoroheptane

CAS #

-

IUPAC name

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7hexadecafluoroheptane

Common name

hexadecafluoroheptane

Empirical formula

-

335-57-9

C7F16

Formula

CF3(CF2)5CF3

Molecular mass

daltons

388.05

Chemical category

-

perfluorocarbon

Mixture

-

Y

EC number

-

206-392-1

Product contents

perfluoroheptane, mixture of isomers

PHYSICAL PROPERTIES State

-

Boiling point

o

C

Freezing point

o

C

Refractive index at 20oC

-

1.2520

Specific gravity

-

1.675

Vapor pressure

kPa

10.9

Vapor pressure temperature

o

Molar volume

cm mol

Viscosity

mPas (cP)

Viscosity temperature

o

Hildebrand solubility parameter

(MPa)1/2

12.07

dD

12.0

dP

0.0

dH

0.0

Hansen solubility parameters, (MPa)

L 83.9 -51.0

C

25 3

1/2

-1

C

227.3 0.89 25

HEALTH & SAFETY UN risk phrases, R

R36/37/38

US safety phrases, S

S26,S36

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Partition coefficient

logKow

6.99

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

730

Perfluoroheptane PARAMETER

UNIT

VALUE

USE & PERFORMANCE Manufacturer

PELCHEM, The Chemical Division of Necsa

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

731

Perfluorohexane PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Perfluorohexane

CAS #

-

IUPAC name

1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane

Common name

perfluoro-n-hexane

Common synonym

tetradecafluorohexane

Empirical formula

-

355-42-0

C6F14

Formula

CF3(CF2)4CF3

Molecular mass

daltons

338.04

RTECS number

-

MO4310000

Chemical category

-

perfluorocarbon

Mixture

-

N

EC number

-

206-585-0

Product contents

tetradecafluorohexane, >96 wt%

PHYSICAL PROPERTIES State

-

L

Color

-

colorless

Boiling point

o

C

Freezing point

o

C

Refractive index at 20oC

-

1.2510

Specific gravity

-

1.690

Vapor pressure

kPa

29.2

Vapor pressure temperature

o

Molar volume

cm mol

Viscosity

mPas (cP)

Viscosity temperature

o

Hildebrand solubility parameter

(MPa)1/2

11.88

dD

12.1

dP

0.0

Hansen solubility parameters, (MPa)

Henry’s law constant

60.0 -88.0

C

25 3

1/2

-1

C

201.2 0.66 25

dH

0.0

atm/m3-mol-1

1.84E+04

Flammability

0

Health

2

Reactivity

0

HEALTH & SAFETY NFPA classification

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

732

Perfluorohexane PARAMETER

UNIT

VALUE

HMIS classification

Flammability

0

Health

2

Reactivity

0

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

5,000

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

40,000/6H

Route of entry

Inh, Eye, Ing

Ingestion

May cause gastrointestinal irritation with nausea, vomiting and diarrhea.

Skin irritation

May cause skin irritation.

Eye irritation

May cause eye irritation.

Inhalation

May cause respiratory tract irritation.

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Partition coefficient

logKow

6.02

USE & PERFORMANCE Recommended for products

In the electronics industry.

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

733

Perfluoropentane PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Perfluoropentane

CAS #

-

IUPAC name

1,1,1,2,2,3,3,4,4,5,5,5-dodecafluoropentane

Common name

duodecafluoropentane

Empirical formula

-

678-26-2

C5F12

Formula

CF3(CF2)3CF3

Molecular mass

daltons

288.04

Chemical category

-

perfluorocarbon

Mixture

-

Y

EC number

-

211-647-5

Product contents

Perfluoro-n-pentane, min. 96%(85% nisomer), mixture of isomers

PHYSICAL PROPERTIES State

-

L

Color

-

colorless

Boiling point

o

C

29.0

Freezing point

o

C

-120.0

Refractive index at 20 C

-

1.2560

Specific gravity

-

1.630

Specific gravity temperature

o

Molar volume

cm mol

Coefficients of Antoine equation

coefficient A

4.38423

coefficient B

1257.758

coefficient C

-13.231

o

C

25 3

-1

C

176.7

300.0 to 421.8

Temperature range of Antoine equation

o

Hansen solubility parameters, (MPa)

dD

11.3

dP

0.0

dH

0.0

Maximum concentration, any time, ACGIH

mg m-3

2.5 (as F)

Maximum concentration, any time, OSHA

mg m-3

2.5 (as F)

Route of entry

Inh, Eye, Ing

Skin irritation

Irritating to skin. Causes slight to mild irritation of the skin. May cause redness, itching and pain.

1/2

HEALTH & SAFETY

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

734

Perfluoropentane PARAMETER

UNIT

VALUE

Eye irritation

Causes slight to mild irritation of the eyes.

Inhalation

Irritating to respiratory tract, nose, mucous membranes

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Partition coefficient

logKow

4.40

USE & PERFORMANCE Manufacturer

Strem Chemicals, Inc

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

735

3.18 Polyhydric alcohols Diethylene glycol PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Diethylene glycol

CAS #

-

111-46-6

IUPAC name

2-(2-hydroxyethoxy)ethanol

Common name

ethylene diglycol

Common synonym

2,2'-oxydiethanol, diglycol

Acronym

-

DEG

Empirical formula

-

C4H10O3

Formula

HOCH2CH2OCH2CH2OH

Molecular mass

daltons

106.14

RTECS number

-

ID5950000

Chemical category

-

polyhydric alcohol

Mixture

-

N

EC number

-

203-872-2

Product contents

assay >99.7 wt%, monoethylene glycol <0.1 wt%, triethylene glycol <0.1 wt%, water <0.05 wt%

PHYSICAL PROPERTIES State

-

L

Odor

-

none

Color

-

colorless

Boiling point

o

C

245.0

Freezing point

o

C

-9.0

Refractive index at 20 C

-

1.4470

Specific gravity

-

1.120

Specific gravity temperature

o

Vapor density

air=1

3.66

Vapor pressure

kPa

0.001

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

0.01

Enthalpy of vaporization

kJ mol-1

57.30

Enthalpy of vaporization temperature

K

273.0

Polarity parameter, ET(30)

kcal mol-1

53.8

Corrosivity

-

N

Molar volume

cm mol

Viscosity

mPas (cP)

Viscosity temperature

o

o

C

20

C

25

3

C

-1

95.3 35.7 25

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

736

3.18 Polyhydric alcohols Diethylene glycol PARAMETER

UNIT

VALUE

Surface tension at 20oC

mN m-1

48.18

Solubility in water at 20 C

mg kg-1

infinite

Heat of combustion at 25 C

MJ kg

22.46

Specific heat at 25oC

kJ K-1 mol-1

222.59

Hildebrand solubility parameter

(MPa)

26.80

o

o

Hansen solubility parameters, (MPa)

1/2

-1

1/2

dD

16.6

dP

12.0

dH Henry’s law constant

19.0

atm/m -mol 3

-1

2.03E-09

HEALTH & SAFETY NFPA classification

UN risk phrases, R

Flammability

1

Health

1

Reactivity

0

R22

US safety phrases, S

S2,S46

ICAO/IATA class, packaging group

not regulated

IMDG class, packaging group

not regulated

Autoignition temperature

o

C

224

Flash point

o

C

154.0

Flash point method

-

TCC

Explosion limit, lower

wt%

1.70

Explosion limit, upper

wt%

10.60

Animal testing, acute toxicity, Rat oral LD50

-1

mg kg

12,565

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

11,890

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

30/2H mus

Route of entry

Inh, Ing

Ingestion

Harmful if swallowed

Skin irritation

May cause skin irritation

Eye irritation

May cause eye irritation

Inhalation

Causes respiratory tract irritation

Target organs

RspSys,CNS,C,Lvr,Lymph,Bld

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

Mutagenic properties

N

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

737

3.18 Polyhydric alcohols Diethylene glycol PARAMETER

UNIT

VALUE

Biological oxygen demand, 5 days

g g-1

0.12

Biological oxygen demand, 20 days

gg

-1

0.30

Chemical oxygen demand

gg

-1

1.51

Theoretical oxygen demand

g g-1

1.51

Bioconcentration factor

-

-1.40

Biodegradation probability

-

days-weeks

Hydroxyl rate constant

cm3 molecule-1 s-1

3.00E-11

Montreal protocol

-

N

Partition coefficient

logKow

-1.47

Urban ozone formation potential

C2H4=1

0.38

Soil absorption constant

-

-1.90

ECOLOGICAL PROPERTIES

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

738

Dipropylene glycol PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Dipropylene glycol

CAS #

-

110-98-5

IUPAC name

1-(2-hydroxypropoxy)propan-2-ol

Common name

mixture of isomers of propylene

Common synonym

2,2'-dihydroxydipropyl ether

Acronym

-

DPEGCL

Empirical formula

-

C6H13O3

Formula

CH3CHCH2OCH2CHCH3 OH

OH

Molecular mass

daltons

134.2

RTECS number

-

UB8785000

Chemical category

-

glycol ether

Mixture

-

Y

EC number

-

203-821-4

Properties

water <0.1 wt%

Product contents

assay > 99.7 wt%, monopropylene glycol <0.1 wt%, tripropylene glycol <0.1 wt%

PHYSICAL PROPERTIES State

-

L

Odor

-

nearly odorless

Color

-

colorless

Boiling point

o

C

233.0

Freezing point

o

C

-20.0

Refractive index at 20 C

-

1.4390

Specific gravity

-

1.030

Specific gravity temperature

o

Vapor density

air=1

4.63

Vapor pressure

kPa

0.004

Vapor pressure temperature

o

Corrosivity

-

N

Molar volume

cm3 mol-1

131.3

Viscosity

mPas (cP)

Viscosity temperature

o

Solubility in water at 20oC

mg kg-1

miscible

Heat of combustion at 25 C

MJ kg

26.97

o

o

C

20

C

25

C

116 20

-1

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

739

Dipropylene glycol PARAMETER

UNIT

VALUE

Hansen solubility parameters, (MPa)1/2

dD

16.0

dP

8.5

dH

19.2

Flammability

1

Health

0

Reactivity

0

HEALTH & SAFETY NFPA classification

Autoignition temperature

o

C

Flash point

o

332

C

Flash point method

-

OC

Explosion limit, lower

wt%

2.90

Explosion limit, upper

wt%

12.60

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

14,850

Route of entry

Ing, Skin

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

121

ECOLOGICAL PROPERTIES Montreal protocol

-

N

Partition coefficient

logKow

-0.64

USE & PERFORMANCE Manufacturer

Arco Chimie, BASF AG, Dow,

Recommended for products

Dyes, printing inks, hydraulic fluids, lubricants, metal surface treating agents, the leather industry, personal care products

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

740

Ethylene glycol PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Ethylene glycol

CAS #

-

107-21-1

IUPAC name

ethane-1,2-diol

Common name

1,2-ethanediol

Common synonym

1,2-dihydroxyethane

Acronym

-

ETEGCL

Empirical formula

-

C2H6O2

Formula

H

O

O

Molecular mass

daltons

62.08

H

RTECS number

-

KW2975000

Chemical category

-

polyhydric alcohol

Mixture

-

N

EC number

-

203-473-3

Properties

iron <0.2 ppmw, chloride <0.02 ppmw

Product contents

ethylene glycol >99.85 wt%, diethylene glycol <0.05 wt%, water <0.05 wt%

PHYSICAL PROPERTIES State

-

L

Color

-

colorless

Boiling point

o

C

197.5

Freezing point

o

C

-12.6

Refractive index at 20 C

-

1.431

Specific gravity

-

1.11

Specific gravity temperature

o

Vapor density

air=1

2.14

Vapor pressure

kPa

0.01

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

0.01

Enthalpy of vaporization

kJ mol-1

67.78

Enthalpy of vaporization temperature

K

298.2

Acceptor number

-

Donor number

kcal mol

-1

Polarity parameter, ET(30)

kcal mol

-1

Acid dissociation constant

-

14.24

Corrosivity

-

N

o

C

25

C

25

43.4 20.0 56.3

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

741

Ethylene glycol PARAMETER

UNIT

VALUE

Molar volume

cm3 mol-1

55.9

Coefficients of Antoine equation

coefficient A

8.2621

coefficient B

2197

coefficient C

212

Viscosity

mPas (cP)

21

Viscosity temperature

o

Surface tension at 20oC

mN m-1

48.49

Solubility in water at 20 C

mg kg

-1

infinite

Heat of combustion at 25 C

MJ kg

-1

19.35

Specific heat at 25oC

kJ K-1 mol-1

151.04

Coefficient of thermal expansion

10

6.1

Hildebrand solubility parameter

(MPa)

Hansen solubility parameters, (MPa)1/2

dD

17.0

dP

11.0

o

o

C

20

-4 o

C (K ) -1

-1

1/2

29.04

dH

26.0

Henry’s law constant

atm/m3-mol-1

6.00E-08

Relative permittivity

-

37.70

Flammability

1

Health

1

HEALTH & SAFETY NFPA classification

HMIS classification

UN risk phrases, R

Reactivity

0

Flammability

1

Health

1

Reactivity

1

R22

UN/NA hazard class

not regulated

UN packaging group

not regulated

DOT class

not regulated

ICAO/IATA class, packaging group

not regulated

IMDG class, packaging group

not regulated

Autoignition temperature

o

C C

432 116

Flash point

o

Flash point method

-

CC

Explosion limit, lower

wt%

3.2

Explosion limit, upper

wt%

15.3

Threshold limiting value – TWA 8h, OSHA

ppm

Maximum concentration, any time, ACGIH

mg m

50 -3

127

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

742

Ethylene glycol PARAMETER

UNIT

VALUE

Maximum concentration, any time, ACGIH

ppm

50

Maximum concentration, any time, OSHA

mg m-3

125

Maximum concentration, any time, OSHA

ppm

50

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

4,700-17,700

Animal testing, acute toxicity, Mouse oral LD50

mg kg

-1

3,400-76,000

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

-1

9,530

Route of entry

Inh, Ing, Abs, Con

Ingestion

Ingestion may result in damage to the kidneys

Eye irritation

Slight irritant

Target organs

Lvr

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

Mutagenic properties

N

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

0.47

Biological oxygen demand, 20 days

g g-1

1.01

Chemical oxygen demand

gg

-1

1.29

Theoretical oxygen demand

gg

-1

1.29

Aquatic toxicity, Rainbow trout, 96-h LC50

mg l-1

20,000

Bioconcentration factor

-

1.0

Biodegradation probability

-

days

Hydroxyl rate constant

cm3 molecule-1 s-1

7.70E-12

Montreal protocol

-

N

Partition coefficient

logKow

-1.36

Urban ozone formation potential

C2H4=1

0.17

Soil absorption constant

-

0.6

UV absorption

nm

<210

USE & PERFORMANCE Recommended for polymers

cellulose

Recommended for products

antifreeze, brake fluid, solvent, humectant, paints, plastics, inks, stamp pad inks, ballpoint pen inks, synthetic fibers, airport de-icing

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

743

Glycerol PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Glycerol

CAS #

-

56-81-5

IUPAC name

propane-1,2,3-triol

Common name

glycerin

Empirical formula

-

C3H8O3

Formula

HOCH2CHCH2OH OH

Molecular mass

daltons

92.09

RTECS number

-

MA8050000

Chemical category

-

GRAS

Mixture

-

N

EC number

-

200-289-5

Product contents

>95%

PHYSICAL PROPERTIES State

-

L

Odor

-

odorless

Color

-

colorless

Boiling point

o

C

171.0

Freezing point

o

C

18.20

Refractive index at 20 C

-

1.4730

Specific gravity

-

1.260

Specific gravity temperature

o

Vapor density

air=1

1.00

Vapor pressure

kPa

0.0001

Vapor pressure temperature

o

Acceptor number

-

Donor number

kcal mol-1

Polarity parameter, ET(30)

kcal mol

Acid dissociation constant

-

Corrosivity

-

Molar volume

cm mol

Viscosity

mPas (cP)

Viscosity temperature

o

o

C

20

C

40 46.6 57.0 14.10 N 3

73.4

-1

945

C

25

Solubility in water at 20 C

mg kg

Heat of combustion at 25oC

MJ kg-1

Coefficient of thermal expansion

10

o

19.0

-1

-4 o

miscible

-1

18.21

C (K ) -1

-1

4.64

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

744

Glycerol PARAMETER

UNIT

Hildebrand solubility parameter Hansen solubility parameters, (MPa)

1/2

Relative permittivity

VALUE

(MPa)1/2

33.10

dD

17.4

dP

11.3

dH

27.2

-

42.50

Flammability

1

Health

1

Reactivity

0

HEALTH & SAFETY NFPA classification

UN/NA hazard class

not regulated

DOT class

not regulated

Autoignition temperature

o

C

400

Flash point

o

C

177

Flash point method

-

OC

Explosion limit, lower

wt%

0.90

Explosion limit, upper

wt%

Threshold limiting value – TWA 8h, ACGIH

19.00 -3

mg m

10

Threshold limiting value – TWA 8h, OSHA

mg m

-3

20

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

Route of entry

Subcutaneous

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

12,600

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

0.82

Biological oxygen demand, 20 days

gg

-1

0.94

Chemical oxygen demand

gg

-1

1.16

Theoretical oxygen demand

g g-1

1.22

Montreal protocol

-

N

Partition coefficient

logKow

-1.76

USE & PERFORMANCE Manufacturer

Dow, Merck Schuchardt OHG, Chemische Werke Hommel GmbH & Co. KG

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

745

Hexanediol, 2-ethyl, 1,3PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Hexanediol, 2 ethyl, 1,3-

CAS #

-

94-96-2

IUPAC name

2-ethylhexane-1,3-diol

Common name

ethylhexylene glycol

Common synonym

octanediol, 1,3-

Empirical formula

-

C8H18O2

Formula

H

H

O

H H

O

Molecular mass

daltons

146.26

RTECS number

-

MO2625000

Chemical category

-

polyhydric alcohol

Mixture

-

N

EC number

-

202-377-9

-

L

PHYSICAL PROPERTIES State Odor

-

odorless

Color

-

colorless

Boiling point

o

C

Freezing point

o

C

Refractive index at 20oC

-

1.447-1.453

Specific gravity

-

0.922

Specific gravity temperature

o

Vapor density

air=1

5.03

Vapor pressure

kPa

0.00133

Vapor pressure temperature

o

Corrosivity

-

N

Molar volume

cm3 mol-1

157.6

Solubility in water at 20oC

mg kg-1

slightly soluble

Heat of combustion at 25 C

MJ kg

35.05

o

Hansen solubility parameters, (MPa)

1/2

244 -40

C

22

C

20

-1

dD

16.0

dP

5.9

dH

14.9

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

746

Hexanediol, 2-ethyl, 1,3PARAMETER

UNIT

VALUE

Flammability

1

Health

2

Reactivity

0

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R41

US safety phrases, S

S25,S26,S39,S46

ICAO/IATA class, packaging group

not regulated

IMDG class, packaging group

not regulated

Autoignition temperature

o

C

335

Flash point

o

C

126

Flash point method

-

OC

Animal testing, acute toxicity, Rat oral LD50

mg kg

-1

1,400

Animal testing, acute toxicity, Mouse oral LD50

mg kg-1

1,900

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

2,000

Ingestion

Harmful if swallowed.

Skin irritation

Causes skin irritation.

Eye irritation

Risk of serious damage to eyes

Inhalation

Causes respiratory tract irritation.

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

-1

ECOLOGICAL PROPERTIES Montreal protocol

-

N

Partition coefficient

logKow

1.60

Manufacturer

-

Millipore Sigma

Recommended for products

Solvent for resins, printing inks, paints, coatings, cleaning

USE & PERFORMANCE

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

747

Hexylene glycol PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Hexylene glycol

CAS #

-

107-41-5

IUPAC name

2-methylpentane-2,4-diol

Common name

2-methyl-2,4-pentanediol

Common synonym

2,4-dihydroxy-2-methylpentane

Empirical formula

-

C6H14O2

Formula

CH3 CH3CHCH2C OH CH3 OH

Molecular mass

daltons

118.17

RTECS number

-

SA0810000

Chemical category

-

polyhydric alcohol

Mixture

-

N

EC number

-

203-489-0

Product contents

hexylene glycol 98%

PHYSICAL PROPERTIES State

-

L

Odor

-

characteristic

Color

-

colorless

Boiling point

o

C

Freezing point

o

C

Refractive index at 20oC

-

1.4270

Specific gravity

-

0.920

Specific gravity temperature

o

Vapor density

air=1

4.00

Vapor pressure

kPa

0.003

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

0.01

Evaporation rate

ether=1

1680

Corrosivity

-

Molar volume

cm mol

Viscosity

mPas (cP)

Viscosity temperature

o

Surface tension at 20oC

mN m-1

33.10

Solubility in water at 20 C

mg kg

miscible

Heat of combustion at 25oC

MJ kg-1

196.0 -40.0

C

20

C

20

N 3

o

C

-1

124.8 36 20

-1

32.53

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

748

Hexylene glycol PARAMETER

UNIT

VALUE

Specific heat at 25oC

kJ K-1 mol-1

259.62

Coefficient of thermal expansion

10-4 oC-1 (K-1)

7.00

Hildebrand solubility parameter

(MPa)1/2

23.11

Hansen solubility parameters, (MPa)1/2

dD

16.4

dP

8.0

dH

20.6

Relative permittivity

-

7.70

Electrical conductivity

pS m-1

3.00E+06

Flammability

1

Health

2

Reactivity

0

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R36/38

UN/NA hazard class

not regulated

DOT class

not regulated

Autoignition temperature

o

C

425

Flash point

o

C

93.0

Flash point method

-

CC

Explosion limit, lower

wt%

1.00

Explosion limit, upper

wt%

9.90

Threshold limiting value – TWA 8h, OSHA

ppm

25

Maximum concentration, any time, ACGIH

mg m-3

121

Maximum concentration, any time, ACGIH

ppm

25

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

3,700

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

8,000

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

-1

50/15M

Route of entry

Ing, Intraoeritoneal Con

Skin irritation

Causes skin irritation

Eye irritation

May cause eye irritation

Inhalation

May cause respiratory irritation

First aid: eyes

Immediately flush eye(s) with plenty of water. Remove contact lenses. Protect unharmed eye. Keep eye wide open while rinsing. Contact ophthalmologist

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

749

Hexylene glycol PARAMETER

UNIT

VALUE

First aid: skin

Wash exposed area twice with soap and water. The exposed area should be examined by medical personnel if irritation or pain persists after the area has been washed.

First aid: inhalation

Remove victim to fresh air and keep at rest in a position comfortable for breathing

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

0.02

Chemical oxygen demand

g g-1

2.20

Theoretical oxygen demand

gg

2.30

Biodegradation probability

-

70% 28 days

Montreal protocol

-

N

Partition coefficient

logKow

0.58

-1

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

750

Propylene glycol PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Propylene glycol

CAS #

-

57-55-6

IUPAC name

propane-1,2-diol

Common name

1,2-propanediol

Common synonym

methyl ethylene glycol

Acronym

-

MPG

Empirical formula

-

C3H8O2

Formula

H

O

H O

H

CH3 Molecular mass

daltons

76.11

RTECS number

-

XC2100000

Chemical category

-

GRAS

Mixture

-

N

EC number

-

200-338-0

Product contents

assay > 99.7 wt%, dipropylene glycol < 0.01 wt%

PHYSICAL PROPERTIES State

-

L

Odor

-

odorless

Color

-

colorless

Boiling point

o

C

187.6-188.2

Freezing point

o

C

-76 to -60

Refractive index at 20 C

-

1.431

Specific gravity

-

1.04

Specific gravity temperature

o

Vapor density

air=1

2.62

Vapor pressure

kPa

0.0172

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

0.01

Enthalpy of vaporization

kJ mol-1

52.3

Enthalpy of vaporization temperature

K

bp

Acceptor number

-

38.7

Acid dissociation constant

-

14.8

Corrosivity

-

N

Molar volume

cm3 mol-1

73.7

o

C

C

20

25

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

751

Propylene glycol PARAMETER

UNIT

VALUE

Coefficients of Antoine equation

coefficient A

8.9545

coefficient B

2692.2

coefficient C

255.2

Viscosity

mPas (cP)

54.65

Viscosity temperature

o

C

20

Surface tension at 20 C

mN m

Solubility in water at 20oC

mg kg-1

infinite

Heat of combustion at 25 C

MJ kg

24.38

Coefficient of thermal expansion

10-4 oC-1 (K-1)

7.3

Hildebrand solubility parameter

(MPa)

29.52

o

o

Hansen solubility parameters, (MPa)

1/2

-1

-1

1/2

36.51

dD

16.8

dP

10.4

dH

21.3

Henry’s law constant

atm/m3-mol-1

1.74E-07

Relative permittivity

-

32

Flammability

1

Health

0

Reactivity

0

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R23/24/25,R34,R43

US safety phrases, S

S1/2,S26,S36/37/39,S45

UN number

-

UN/NA hazard class

not regulated

UN packaging group

not regulated

ICAO/IATA class, packaging group

not regulated

IMDG class, packaging group

not regulated

Autoignition temperature

o

C

Flash point

o

C

Flash point method

-

CC

Explosion limit, lower

wt%

2.6

Explosion limit, upper

wt%

12.5

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

22,000

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

20,800

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

sat/8H

Route of entry

Inh, Ing, Con

1760

371 99

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

752

Propylene glycol PARAMETER

UNIT

VALUE

Skin irritation

May cause skin irritation.

Eye irritation

May cause eye irritation.

Target organs

CNS,Lvr,Kdny,GI,Bld

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

Mutagenic properties

N

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

1.08

Biological oxygen demand, 20 days

g g-1

1.33

Chemical oxygen demand

gg

-1

1.63

Theoretical oxygen demand

gg

-1

Bioconcentration factor

-

Biodegradation probability

-

Hydroxyl rate constant

cm molecule s

1.20E-11

Montreal protocol

-

N

Partition coefficient

logKow

-0.92

Urban ozone formation potential

C2H4=1

0.18

Soil absorption constant

-

-1.20

Manufacturer

-

DOW, Dynalene

Recommended for products

Plasticizer, solvent, humectant, lubricant; waxes, resins, printing inks, cosmetics, pharmaceutical

1.68 -0.90 days-weeks

3

-1

-1

USE & PERFORMANCE

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

753

Tetraethylene glycol PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Tetraethylene glycol

CAS #

-

IUPAC name

2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy] ethanol

Common name

tetraglycol

112-60-7

Acronym

-

TTETEGCL

Empirical formula

-

C8H18O5

Formula

HO CH2CH2O 3 CH2CH2OH

Molecular mass

daltons

194.26

RTECS number

-

HC2100000

Chemical category

-

polyhydric alcohol

Mixture

-

N

EC number

-

203-989-9

State

-

L

Color

colorless to pale straw

Boiling point

o

C

329.0

Freezing point

o

C

-4.0

PHYSICAL PROPERTIES

Refractive index at 20 C o

-

1.4590

Specific gravity

-

Specific gravity temperature

o

1.124

Vapor density

air=1

6.70

Vapor pressure

kPa

0.0000001

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

0.01

Enthalpy of vaporization

kJ mol-1

62.90

Enthalpy of vaporization temperature

K

bp

Corrosivity

-

N

Molar volume

cm3 mol-1

171.2

Coefficients of Antoine equation

coefficient A

8.19953

C

20

C

25

coefficient B

4837.367

coefficient C

9.636

Temperature range of Antoine equation

K

427.0 to 580.9

Viscosity

mPas (cP)

58.3

Viscosity temperature

o

Surface tension at 20 C

mN m

o

C

25 -1

44.00

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

754

Tetraethylene glycol PARAMETER

UNIT

VALUE

Solubility in water at 20oC

mg kg-1

infinite

Heat of combustion at 25 C

MJ kg-1

Coefficient of thermal expansion

10

Hildebrand solubility parameter

(MPa)1/2

26.20

dD

16.5

dP

8.7

o

Hansen solubility parameters, (MPa)

1/2

-4 o

23.62

C (K ) -1

-1

dH Henry’s law constant

8.08

17.9

atm/m -mol 3

-1

4.91E-13

HEALTH & SAFETY NFPA classification

Flammability

1

Health

1

Reactivity

0

UN/NA hazard class

not regulated

DOT class

not regulated

Flash point

o

C

202

Explosion limit, lower

wt%

1.00

Explosion limit, upper

wt%

11.00

Animal testing, acute toxicity, Rat oral LD50

-1

mg kg

29,000

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

20,000

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

sat/8H

Route of entry

Ing, Con, Inh

Target organs

CNS,GI,RspSys

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

Mutagenic properties

Y

ECOLOGICAL PROPERTIES Chemical oxygen demand

g g-1

1.64

Theoretical oxygen demand

g g-1

1.65

Bioconcentration factor

-

-1.80

Biodegradation probability

-

days-weeks

Hydroxyl rate constant

cm3 molecule-1 s-1

4.70E-11

Montreal protocol

-

N

Partition coefficient

logKow

-2.02

Urban ozone formation potential

C2H4=1

0.38

Soil absorption constant

-

-2.80

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

755

Tetraethylene glycol PARAMETER

UNIT

VALUE

USE & PERFORMANCE Recommended for polymers

Nitrocellulose

Recommended for products

Solvent for nitrocellulose, plasticizer, lacquers, coating compositions

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

756

Triethylene glycol PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Triethylene glycol

CAS #

-

112-27-6

IUPAC name

2-[2-(2-hydroxyethoxy)ethoxy]ethanol

Common name

triglycol

Common synonym

ethylene glycol dihydroxy-diethyl ether

Acronym

-

TEG

Empirical formula

-

C6H14O4

Formula

H

O

O

O

O

H

Molecular mass

daltons

150.17

RTECS number

-

YE4550000

Chemical category

-

polyhydric alcohol

Mixture

-

N

EC number

-

203-953-2

Properties

water <0.1 wt%

Product contents

Triethylene glycol >98.0 wt%, diethylene glycol <0.1 wt%, tetraethylene glycol <0.1 wt%

PHYSICAL PROPERTIES State

-

L

Odor

-

odorless

Color

-

colorless

Boiling point

o

C

287.4

Freezing point

o

C

-4.3

Refractive index at 20 C

-

1.456

Specific gravity

-

1.126

Specific gravity temperature

o

Vapor density

air=1

5.2

Vapor pressure

kPa

0

Vapor pressure temperature

o

C

25

Evaporation rate

butyl acetate=1

0.001

Enthalpy of vaporization

kJ mol-1

62.5

Enthalpy of vaporization temperature

K

Polarity parameter, ET(30)

kcal mol

Acid dissociation constant

-

14.5

Corrosivity

-

N

Molar volume

cm3 mol-1

134.2

o

C

20

bp -1

52.8

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

757

Triethylene glycol PARAMETER

UNIT

VALUE

Coefficients of Antoine equation

coefficient A

6.7568

coefficient B

3715.222

coefficient C

-1.299

Temperature range of Antoine equation

K

387.0 to 551.4

Viscosity

mPas (cP)

49

Viscosity temperature

o

Surface tension at 20oC

mN m-1

45.2

Solubility in water at 20 C

mg kg

-1

infinite

Heat of combustion at 25 C

MJ kg

-1

23.03

Specific heat at 25oC

kJ K-1 mol-1

324.68

Coefficient of thermal expansion

10

6.24

Hildebrand solubility parameter

(MPa)

Hansen solubility parameters, (MPa)1/2

dD

16.0

dP

12.5

o

o

C

20

-4 o

C (K ) -1

-1

1/2

21.89

dH

18.6

Henry’s law constant

atm/m3-mol-1

7.96E-10

Relative permittivity

-

23.69

Flammability

1

Health

1

Reactivity

0

HEALTH & SAFETY NFPA classification

UN/NA hazard class

not regulated

UN packaging group

not regulated

DOT class

not regulated

ICAO/IATA class, packaging group

not regulated

IMDG class, packaging group

not regulated

Autoignition temperature

o

C

349

Flash point

o

C

177

Flash point method

-

PMCC

Explosion limit, lower

wt%

0.9

Explosion limit, upper

wt%

9.2

Animal testing, acute toxicity, Rat oral LD50

-1

mg kg

17,000-31,669

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

18,000-22,600

Route of entry

Inh, Ing, Con

Skin irritation

May cause skin irritation.

Eye irritation

May cause eye irritation.

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

758

Triethylene glycol PARAMETER

UNIT

VALUE

Target organs

Spleen,Lung,Kdny,CNS

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

Mutagenic properties

Y

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

0.58

Biological oxygen demand, 20 days

g g-1

1.38

Chemical oxygen demand

gg

1.57

Theoretical oxygen demand

g g-1

1.6

Aquatic toxicity, Bluegill sunfish, 96-h LC50

mg l

-1

10,000-61,000

Aquatic toxicity, Daphnia magna, 48-h LC50

mg l

-1

35-49

Aquatic toxicity Fathead minnow, 96-h LC50

mg l-1

59.9-77.4

Aquatic toxicity, Rainbow trout, 96-h LC50

mg l

1,000

-1

-1

Bioconcentration factor

-

-1.6

Biodegradation probability

-

92% 28 days

Hydroxyl rate constant

cm3 molecule-1 s-1

3.38E-11

Montreal protocol

-

N

Partition coefficient

logKow

-1.75

Urban ozone formation potential

C2H4=1

0.47

Soil absorption constant

-

-2.30

USE & PERFORMANCE Recommended for products

Steam-set printing inks, cleaning compounds, resin impregnates, functional fluids, solvents, antifreeze, deicing products, cleaning, paints, coatings, personal care products, plastics, and rubber

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

759

Tripropylene glycol PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Tripropylene glycol

CAS #

-

IUPAC name

1-[1-(1-hydroxypropan-2-yloxy)propan2-yloxy]propan-2-ol

Common name

2-[2-(2'-hydroxypropoxy)propoxy]1-propanol

Acronym

-

TPG

Empirical formula

-

C9H20O4

Formula

24800-44-0

HO(CH2)3O(CH2)3O(CH2)3OH

Molecular mass

daltons

192.26

RTECS number

-

YK6825000

Chemical category

-

polyhydric alcohol

Mixture

-

N

EC number

-

246-466-0

Properties

water <0.1 wt%

Product contents

assay >99.7 wt%, dipropylene glycol <0.1 wt%, tetrapropylene glycol <0.1 wt%

PHYSICAL PROPERTIES State

-

L

Color

-

colorless

Boiling point

o

Refractive index at 20oC

-

1.4415

Specific gravity

-

1.020

Specific gravity temperature

o

Vapor density

air=1

6.63

Vapor pressure

kPa

0.0003

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

0.0002

Corrosivity

-

N

Molar volume

cm3 mol-1

185.7

Viscosity

mPas (cP)

57.2

Viscosity temperature

o

Surface tension at 20oC

mN m-1

C

265.0

C

25

C

25

C

25 34.00

Heat of combustion at 25 C

MJ kg

Thermal conductivity at 25 C

Wm K

o

o

-1

28.20

-1 -1

0.1580

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

760

Tripropylene glycol PARAMETER

UNIT

VALUE

Hansen solubility parameters, (MPa)1/2

dD

16.1

dP

7.0

dH

15.5

Flammability

1

Health

0

HEALTH & SAFETY NFPA classification

HMIS classification

UN/NA hazard class

Reactivity

0

Flammability

1

Health

0

Reactivity

0

not regulated

DOT class

not regulated

Flash point

o

Flash point method

-

C

143.0 COC 3,000

Animal testing, acute toxicity, Rat oral LD50

mg kg

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Aquatic toxicity, Daphnia magna, 48-h LC50 Aquatic toxicity Fathead minnow, 96-h LC50

mg l-1 mg l

Montreal protocol

-

N

Partition coefficient

logKow

-0.50

-1

-1

34,400 54,900

USE & PERFORMANCE Recommended for products

Polyurethanes, cutting oils, hydraulic fluids, cooling media, printing inks, color concentrates

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

761

3.19 Sulfoxides Dimethyl sulfoxide PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Dimethyl sulfoxide

CAS #

-

67-68-5

IUPAC name

methylsulfinylmethane

Common name

sulfinylbis(methane)

Acronym

-

DMSO

Empirical formula

-

C2H6OS

Formula

CH3SCH3 O

Molecular mass

daltons

78.14

RTECS number

-

PV6210000

Chemical category

-

sulfoxide

Mixture

-

N

EC number

-

200-664-3

State

-

L

Odor

-

garlic-onion

Color

-

colorless

Boiling point

o

C

189.0

Freezing point

o

C

18.54

PHYSICAL PROPERTIES

Refractive index at 20 C

-

1.4770

Specific gravity

-

1.095

Specific gravity temperature

o

Vapor density

air=1

2.69

Vapor pressure

kPa

0.08133

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

0.03

Enthalpy of vaporization

kJ mol-1

47.30

Enthalpy of vaporization temperature

K

343.2

Acceptor number

-

Donor number

kcal mol

-1

Polarity parameter, ET(30)

kcal mol

-1

Acid dissociation constant

-

Corrosivity

-

Molar volume

cm mol

o

C

25

C

25

19.3 29.8 45.1 -1.54 N 3

-1

71.3

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

762

3.19 Sulfoxides Dimethyl sulfoxide PARAMETER

UNIT

VALUE

Coefficients of Antoine equation

coefficient A

4.49107

coefficient B

1807.002

coefficient C

-60.995

Temperature range of Antoine equation

K

325.5 to 442.1

Viscosity

mPas (cP)

1.991

Viscosity temperature

o

Surface tension at 20oC

mN m-1

Solubility in water at 20 C

mg kg

Specific heat at 25 C

kJ K mol

Hildebrand solubility parameter

(MPa)1/2

24.55

dD

18.4

dP

16.4

o

o

Hansen solubility parameters, (MPa)

C

25

-1

1/2

42.98 infinite

-1

153.18

-1

dH

10.2

Henry’s law constant

atm/m -mol

Relative permittivity

-

46.45

Flammability

1

Health

1

Reactivity

0

3

-1

4.96E-08

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R22,R36/38

US safety phrases, S

S6

DOT class

not regulated

Autoignition temperature

o

C

215

Flash point

o

C

95.0

Flash point method

-

OC

Explosion limit, lower

wt%

2.60

Explosion limit, upper

wt%

Animal testing, acute toxicity, Rat oral LD50

42.00 -1

mg kg

14,500

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

-1

40,000

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

Route of entry

Inh, Ing, Con

Skin irritation

May cause skin irritation

Eye irritation

May cause eye irritation

Target organs

Lvr,Skin

Carcinogenicity IARC

N

Carcinogenicity NTP

N

1,600/4H

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

763

3.19 Sulfoxides Dimethyl sulfoxide PARAMETER

UNIT

Carcinogenicity OSHA

N

Mutagenic properties

Y

VALUE

ECOLOGICAL PROPERTIES Theoretical oxygen demand

g g-1

1.84

Bioconcentration factor

-

-1.30

Biodegradation probability

-

Hydroxyl rate constant

cm molecule s

6.20E-11

Montreal protocol

-

N

days-weeks 3

-1

-1

Partition coefficient

logKow

-1.35

Urban ozone formation potential

C2H4=1

0.23

Soil absorption constant

-

1.54

UV absorption

nm

<270

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

764

Sulfolane PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Sulfolane

CAS #

-

126-33-0

IUPAC name

thiolane 1,1-dioxide

Common name

1,1-dioxide tetrahydrothiophene

Common synonym

tetramethyl sulfone

Empirical formula

-

C4H8O2S

Formula

O S O

Molecular mass

daltons

120.18

RTECS number

-

XN0700000

Chemical category

-

sulfoxide

Mixture

-

N

EC number

-

204-783-1

Product contents

sulfolane 96.5 wt%

PHYSICAL PROPERTIES State

-

L

Odor

slight ammonium-like

Color

-

Boiling point

o

C

285.0

Freezing point

o

C

-10.0

colorless

Refractive index at 20 C

-

1.4830

Specific gravity

-

1.260

Specific gravity temperature

o

Vapor density

air=1

4.20

Vapor pressure

kPa

0.0008266

Evaporation rate

butyl acetate=1

0.01

Acceptor number

-

19.2

Donor number

kcal mol

-1

Polarity parameter, ET(30)

kcal mol

-1

Acid dissociation constant

-

Corrosivity

-

Molar volume

cm mol

o

C

30

14.8 44.0 15.30 N

3

-1

95.3

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

765

Sulfolane PARAMETER

UNIT

VALUE

Coefficients of Antoine equation

coefficient A

7.408

coefficient B

2255.47

coefficient C

211.393

Viscosity

mPas (cP)

10.29

Viscosity temperature

o

C

30

Surface tension at 20 C

mN m

Solubility in water at 20oC

mg kg-1

Specific heat at 25 C

kJ K mol

Hildebrand solubility parameter

(MPa)

Hansen solubility parameters, (MPa)1/2

dD

17.8

dP

17.4

o

o

35.50

-1

-1

infinite -1

1/2

179.91 25.73

dH

8.7

Henry’s law constant

atm/m3-mol-1

4.85E-06

Relative permittivity

-

43.26

Flammability

1

Health

1

Reactivity

0

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R22

US safety phrases, S

S2,S25

UN number

-

UN/NA hazard class

9

UN packaging group

III

DOT class

not regulated

ICAO/IATA class, packaging group

UN 3334, AVIATION REGULATED LIQUID, N.O.S., (SULFOLANE ANHYDROUS), 9, III

IMDG class, packaging group

not regulated

Flash point

o

Flash point method

-

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

1,941

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

4,000

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

Route of entry

Ing, Con

Ingestion

Harmful if swallowed.

Skin irritation

May cause skin irritation.

3334

C

168.0 COC -1

956/24H

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

766

Sulfolane PARAMETER

UNIT

VALUE

Eye irritation

May cause eyes irritation.

Inhalation

May cause respiratory tract irritation.

First aid: eyes

Flush eyes with large amounts of water until irritation subsides. If irritation persists, get medical attention.

First aid: skin

Flush with large amounts of water; use soap if available. Remove contaminated clothing, including shoes, and launder before reuse. Call for prompt medical attention

First aid: inhalation

Remove to fresh air. Respiratory support. Call for prompt medical attention.

Target organs

Skin,CNS,GI,Lung,Lvr

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

Mutagenic properties

Y

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

0.0

Chemical oxygen demand

g g-1

1.75

Theoretical oxygen demand

gg

1.73

Aquatic toxicity, Daphnia magna, 96-h LC50

mg l

Bioconcentration factor

-

-0.80

Biodegradation probability

-

days-weeks

Hydroxyl rate constant

cm3 molecule-1 s-1

4.46E-12

Montreal protocol

-

N

-1 -1

100

Partition coefficient

logKow

1.55

Urban ozone formation potential

C2H4=1

0.07

Soil absorption constant

-

1.33

USE & PERFORMANCE Manufacturer

Chevron Phillips Chemical Company LP

Recommended for products

Selective solvent for liquid-vapor extractions.

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

767

3.20 Supercritical fluids Carbon dioxide PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Carbon dioxide

CAS #

-

124-38-9

IUPAC name

carbon dioxide

Common name

carbonic anhydride

Empirical formula

-

CO2

Formula

CO2

Molecular mass

daltons

44.01

RTECS number

-

FF6400000

Chemical category

-

supercritical fluid

Mixture

-

N

EC number

-

204-696-9

State

-

G/L/S

Odor

-

odorless

Color

-

colorless

Freezing point

o

Specific gravity

-

1.560

Vapor density

air=1

1.53

Vapor pressure

kPa

5825

Vapor pressure temperature

o

PHYSICAL PROPERTIES

C

-78.50

C

21 22.50

Enthalpy of vaporization

kJ mol

Enthalpy of vaporization temperature

K

255.4

Molar volume

cm3 mol-1

37.2

Coefficients of Antoine equation

coefficient A

6.81228

coefficient B

1301.679

-1

coefficient C

-3.494

Temperature range of Antoine equation

K

154.3 to 195.9

pH

-

3.2

Viscosity

mPas (cP)

Viscosity temperature

o

Surface tension at 20oC

mN m-1

Solubility in water at 20 C

mg kg

Hansen solubility parameters, (MPa)1/2

dD

15.7

dP

6.3

dH

5.7

o

C

0.064 25

-1

16.20 1950

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

768

3.20 Supercritical fluids Carbon dioxide PARAMETER

UNIT

VALUE

Henry’s law constant

atm/m3-mol-1

2.18E-02

Relative permittivity

-

1.60

Flammability

0

Health

3

Reactivity

0

UN number

-

1013/1845

UN/NA hazard class

2.2

HEALTH & SAFETY NFPA classification

DOT class

UN 1013 Carbon Dioxide, 2.2

ICAO/IATA class, packaging group

UN 1013 Carbon Dioxide, 2.2

IMDG class, packaging group

UN 1013 Carbon Dioxide, 2.2

Threshold limiting value – TWA 8h, ACGIH

ppm

Threshold limiting value – TWA 8h, NIOSH

ppm

Threshold limiting value – TWA 8h, OSHA

mg m

9,000

Threshold limiting value – TWA 8h, OSHA

ppm

5,000

Maximum concentration, 15 min., ACGIH

ppm

Maximum concentration, 15 min., NIOSH

mg m

54,000

Maximum concentration, 15 min., NIOSH

ppm

30,000

Maximum concentration, 15 min., OSHA

mg m-3

54,000

Maximum concentration, 15 min., OSHA

ppm

30,000

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

90,000/5M

5,000 10,000 -3

30,000 -3

Route of entry

Skin, Eye, Inh

Skin irritation

Blisters, frostbite

Eye irritation

Blurred vision, frostbite

Inhalation

May cause difficulty breathing

First aid: eyes

Contact with liquid: Immediately flush eyes with plenty of water for at least 15 minutes. Get immediate medical attention

First aid: skin

If frostbite or freezing occur, immediately flush with plenty of lukewarm water. Get immediate medical

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Montreal protocol

-

N

Partition coefficient

logKow

0.83

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

769

3.20 Supercritical fluids Carbon dioxide PARAMETER

UNIT

VALUE

USE & PERFORMANCE Manufacturer

Specialty Gases of America, Inc. Valero Energy Corporation

Recommended for products

supercritical solvent  numerous applications now and in development

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

770

3.21 Terpenes Dipentene PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Dipentene

CAS #

-

138-86-3

IUPAC name

1-methyl-4-prop-1-en-2-yl-cyclohexene

Common name

limonene

Common synonym

DL-p-mentha-1,8-diene

Empirical formula

-

C10H16

Formula

CH3 H 3C

CH2

Molecular mass

daltons

136.26

RTECS number

-

OS8100000

Chemical category

-

terpene

Mixture

-

N

EC number

-

205-341-0

PHYSICAL PROPERTIES State

-

L

Color

-

colorless to yellow

Boiling point

o

C

Freezing point

o

C

Refractive index at 20oC

-

1.4670

Specific gravity

-

0.860

Specific gravity temperature

o

Vapor density

air=1

4.70

Vapor pressure

kPa

0.21

Vapor pressure temperature

o

Corrosivity

-

N

Molar volume

cm3 mol-1

162.9

Solubility in water at 20oC

mg kg-1

13.8

Heat of combustion at 25 C

MJ kg

46.61

o

Hansen solubility parameters, (MPa)

1/2

176.0 -95.5

C

20

C

20

-1

dD

17.2

dP

1.8

dH

4.3

Henry’s law constant

atm/m -mol

Relative permittivity

-

3

-1

3.80E-01 2.30

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

771

3.21 Terpenes Dipentene PARAMETER

UNIT

VALUE

Flammability

2

Health

0

Reactivity

0

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R10,R38,R43,R50,R53

US safety phrases, S

S2,S24,S37,S60,S61

UN number

-

UN/NA hazard class

3

UN packaging group

III

DOT class

3, III

ICAO/IATA class, packaging group

UN 2052 DIPENTENE, 3, III

IMDG class, packaging group

UN 2052 DIPENTENE, 3, III

Autoignition temperature

o

C

237

Flash point

o

C

45.0

Flash point method

-

CC

Explosion limit, lower

wt%

0.70

Explosion limit, upper

wt%

2052

6.10 5,000

Animal testing, acute toxicity, Rat oral LD50

mg kg

Target organs

CNS,Skin,Kdny

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

-1

ECOLOGICAL PROPERTIES Theoretical oxygen demand

g g-1

3.29

Bioconcentration factor

-

3.45

Biodegradation probability

-

Hydroxyl rate constant

cm molecule s

1.71E-10

Montreal protocol

-

N

days-weeks 3

-1

-1

Partition coefficient

logKow

4.57

Urban ozone formation potential

C2H4=1

0.90

Soil absorption constant

-

3.12

USE & PERFORMANCE Manufacturer

Sunivo, Sigma-Aldrich, Brenntag NV, Merck Schuchardt OHG

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

772

Limonene, dPARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Limonene, d-

CAS #

-

Common name

carvene

Empirical formula

-

C10H16

Molecular mass

daltons

136.23

RTECS number

-

GW6360000

Chemical category

-

terpene

94266-47-4

Mixture

-

Y

EC number

-

304-454-3

Product contents

purity 94 to 95%

PHYSICAL PROPERTIES State

-

L

Odor

-

characteristic citrus

Color

-

colorless to yellow

Boiling point

o

C

176.0

Freezing point

o

C

-96.70

Refractive index at 20 C

-

1.4710

Specific gravity

-

0.838

Specific gravity temperature

o

Vapor density

air=1

4.70

Vapor pressure

kPa

0.2667

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

0.20

Enthalpy of vaporization

kJ mol-1

44.00

Enthalpy of vaporization temperature

K

298.1

Corrosivity

-

N

Molar volume

cm3 mol-1

162.9

Kauri butanol number

-

67.0

Viscosity

mPas (cP)

0.923

Viscosity temperature

o

o

C

25

C

20

C

25

Surface tension at 20 C

mN m

Solubility in water at 20oC

mg kg-1

Heat of combustion at 25 C

MJ kg

Coefficient of thermal expansion

10

o

o

-4 o

26.87

-1

13.8 46.61

-1

C (K ) -1

-1

8.80

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

773

Limonene, dPARAMETER

UNIT

VALUE

Hansen solubility parameters, (MPa)1/2

dD

17.2

dP

1.8

dH

4.3

Henry’s law constant

atm/m3-mol-1

3.80E-01

Relative permittivity

-

2.38

Flammability

2

Health

1

HEALTH & SAFETY NFPA classification

HMIS classification

Reactivity

0

Flammability

2

Health

1

Reactivity

0

UN number

-

2319

UN/NA hazard class

3

UN packaging group

III

DOT class

UN 2319 TERPENE HYDROCARBONS, N.O.S.3, III

TDG class

3, III

ICAO/IATA class, packaging group

3, III

IMDG class, packaging group

3, III

Proper shipping name

terpene hydrocarbons, n.o.s.

Autoignition temperature

o

C

Flash point

o

C

Flash point method

-

TCC

Explosion limit, lower

wt%

0.70

Explosion limit, upper

wt%

6.10

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

5,000

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

5,000

Route of entry

Con, Inh, Ing

Ingestion

Ingestion may cause vomiting, headache, and other medical problems.

Skin irritation

Skin contact may cause slight redness. Prolonged or repeated exposure can cause drying, defatting, and dermatitis of skin.

Eye irritation

Eye contact can cause moderate to high irritation.

237 43.0

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

774

Limonene, dPARAMETER

UNIT

VALUE

Inhalation

Inhalation can cause nose, throat, and respiratory tract irritation, coughing and headache.

First aid: eyes

Remove contact lenses at once. Flush with water for at least 15 minutes. If irritation persists, seek medical attention.

First aid: skin

Wash affected area with copious amounts of soap and water. If irritation develops, seek medical attention.

First aid: inhalation

If symptoms of overexposure are experienced, evacuate to fresh air. If symptoms persist, seek medical attention.

Target organs

Skin,Eye,RspSys,Kdny

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

Mutagenic properties

N

Reproduction/developmental toxicity

N

ECOLOGICAL PROPERTIES Theoretical oxygen demand

g g-1

2.35

Bioconcentration factor

-

3.44

Biodegradation probability

-

days-weeks

Hydroxyl rate constant

cm3 molecule-1 s-1

1.71E-10

Montreal protocol

-

N

Partition coefficient

logKow

4.57

Urban ozone formation potential

C2H4=1

0.95

Soil absorption constant

-

3.2

USE & PERFORMANCE Manufacturer

Florida Chemical Company

Outstanding properties

biodegradable, non-toxic and environmentally safe

Potential substitute for

hand, floor, and hard surface cleaner, hood degreaser, graffiti and adhesive remover, car wash concentrate and automotive cleaner, asphalt release agent, mold release agent, electronics cleaner, recycling solvent

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

775

Linalool PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Linalool

CAS #

-

78-70-6

IUPAC name

3,7-dimethylocta-1,6-dien-3-ol

Common name

linalyl alcohol

Common synonym

3,7-dimethyl-1,6-octadien-3-ol

Empirical formula

-

C10H18O

Formula

OH CH3C CCH2CH2CCH CH2 CH3

CH3

Molecular mass

daltons

154.25

RTECS number

-

RG5775000

Chemical category

-

terpene

Mixture

-

N

EC number

-

201-134-4

Product contents

linalool, 99%

PHYSICAL PROPERTIES State

-

L

Odor

-

characteristic

Color

-

colorless

Boiling point

o

C

197.0

Refractive index at 20 C

-

1.4620

Specific gravity

-

0.870

Specific gravity temperature

o

Vapor density

air=1

5.30

Vapor pressure

kPa

0.0226

Vapor pressure temperature

o

Corrosivity

-

Molar volume

cm3 mol-1

179.5

Solubility in water at 20 C

mg kg

1,600

Heat of combustion at 25 C

MJ kg

Hansen solubility parameters, (MPa)1/2

dD

16.3

dP

3.0

dH

10.8

o

o

o

C

25

C

25 N -1

-1

40.96

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

776

Linalool PARAMETER

UNIT

VALUE

Flammability

2

Health

1

Reactivity

0

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R36/37/38

US safety phrases, S

S26,S36

UN/NA hazard class

not regulated

DOT class

not regulated

Autoignition temperature

o

C

235

Flash point

o

C

75

Explosion limit, lower

wt%

Explosion limit, upper

wt%

5.20

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

2,790

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

5,610

Route of entry

Con, Inh, Ing

Ingestion

May cause gastrointestinal irritation

Skin irritation

Causes skin irritation

Eye irritation

May cause eye irritation

Inhalation

May cause respiratory irritation

First aid: eyes

Immediately flush eye(s) with plenty of water. Remove contact lenses. Protect unharmed eye. Keep eye wide open while rinsing. Contact ophthalmologist

First aid: skin

Wash affected area with copious amounts of soap and water. If irritation develops, seek medical attention.

First aid: inhalation

Remove victim to fresh air. If breathing stops provide artificial respiration. If breathing is difficult, give oxygen. Call medical attention

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

0.90

ECOLOGICAL PROPERTIES Montreal protocol

-

N

Partition coefficient

logKow

2.97

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

777

Pinene, alphaPARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Pinene, alpha-

CAS #

-

IUPAC name

2,7,7-trimethylbicyclo[3.1.1]hept-2-ene

80-56-8

Common name

2-pinene

Empirical formula

-

C10H16

Formula

H3C CH3 CH3

Molecular mass

daltons

136.24

RTECS number

-

DT7000000

Chemical category

-

terpene

EC number

-

201-291-9

Product contents

alpha-pinene, natural

PHYSICAL PROPERTIES State

-

L

Odor

-

pine

Color

colorless to pale yellow

Boiling point

o

C

Freezing point

o

C

Refractive index at 20oC

-

155.0 -55.0 1.4642

Specific gravity

-

Specific gravity temperature

o

0.859

Vapor density

air=1

C

25 4.70 46.61

Enthalpy of vaporization

kJ mol

Enthalpy of vaporization temperature

K

Corrosivity

-

Molar volume

cm mol

Coefficients of Antoine equation

coefficient A

6.91664

coefficient B

1482.21

-1

288.0 N 3

159.0

-1

coefficient C

211.416

Viscosity

mPas (cP)

1.3

Viscosity temperature

o

Solubility in water at 20oC

mg kg-1

Heat of combustion at 25 C

MJ kg

Coefficient of thermal expansion

10

o

C

25

-4 o

insoluble 46.61

-1

C (K ) -1

-1

9.00

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

778

Pinene, alphaPARAMETER

UNIT

VALUE

Hansen solubility parameters, (MPa)1/2

dD

16.9

dP

1.8

Relative permittivity

dH

3.1

-

2.70

Flammability

3

Health

1

Reactivity

0

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R10,R36/37/38

US safety phrases, S

S16,S23,S33,S9

UN number

-

2368

UN/NA hazard class

3

UN packaging group

III

DOT class

UN 2368 alpha-pinene, 3, III

ICAO/IATA class, packaging group

UN 2368 alpha-pinene, 3, III

IMDG class, packaging group

UN 2368 alpha-pinene, 3, III

Proper shipping name

alpha-pinene

Autoignition temperature

o

C

255

Flash point

o

C

33.0

Flash point method

-

CC

Explosion limit, lower

wt%

0.80

Explosion limit, upper

wt%

7.10

Animal testing, acute toxicity, Rat oral LD50

-1

mg kg

3,700

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

5,000

Ingestion

NOT ESTABLISHED

Skin irritation

May cause skin irritation.

Eye irritation

May cause eye irritation.

Inhalation

NOT ESTABLISHED

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Montreal protocol

-

N

Partition coefficient

logKow

4.83

USE & PERFORMANCE Manufacturer

Penta Manufacturing Co.

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

779

Pinene, alphaPARAMETER

UNIT

VALUE

Recommended for products

Solvent for protective coatings, polishes, and waxes. Flavor ingredient.

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

780

Pinene, betaPARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Pinene, beta-

CAS #

-

127-91-3

IUPAC name

6,6-dimethyl-2-methylidene-norpinane

Common name

pseudopinene

Empirical formula

-

C10H16

Formula

H2C CH3 CH3

Molecular mass

daltons

136.24

RTECS number

-

DT5077000

Chemical category

-

terpene

EC number

-

204-872-5

Product contents

beta-pinene, natural

PHYSICAL PROPERTIES State

-

Odor

resinous, piney,woody

L

Color

colorless to pale yellow

Boiling point

o

C

166.0

Freezing point

o

C

-61.0

Refractive index at 20 C

-

1.4770

Specific gravity

-

0.875

Specific gravity temperature

o

Vapor density

air=1

4.70

Vapor pressure

kPa

0.1333

Vapor pressure temperature

o

o

C

25

C

20

Enthalpy of vaporization

kJ mol

Enthalpy of vaporization temperature

K

43.47

Corrosivity

-

Molar volume

cm mol

Coefficients of Antoine equation

coefficient A

-1

288.0 N 3

-1

156.2 6.8595

coefficient B

1489.74

coefficient C

208.225

Viscosity

mPas (cP)

1.52

Viscosity temperature

o

Solubility in water at 20oC

mg kg-1

C

25 insoluble

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

781

Pinene, betaPARAMETER

UNIT

Heat of combustion at 25oC

MJ kg-1

46.61

Coefficient of thermal expansion

10-4 oC-1 (K-1)

7.02

Hansen solubility parameters, (MPa)1/2

dD

17.1

dP

3.0

dH

2.7

-

2.70

Flammability

3

Health

1

Reactivity

0

Relative permittivity

VALUE

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R10,R36/37/38

US safety phrases, S

S16,S23,S33,S37,S45,S9,S28A

UN number

-

UN/NA hazard class

3

UN packaging group

III

DOT class

UN 2319 terpentene hydrocarbons, n.o.s., 3, III

ICAO/IATA class, packaging group

UN 2319 terpentene hydrocarbons, n.o.s., 3, III

IMDG class, packaging group

UN 2319 terpentene hydrocarbons, n.o.s., 3, III

Proper shipping name

terpentene hydrocarbons, n.o.s.

Autoignition temperature

o

C

Flash point

o

C

35.0

Explosion limit, lower

wt%

0.80

Explosion limit, upper

wt%

2319

255

6.60

Animal testing, acute toxicity, Rat oral LD50

mg kg

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

-1

5,000

ECOLOGICAL PROPERTIES Montreal protocol

-

N

Partition coefficient

logKow

4.35

USE & PERFORMANCE Manufacturer

Krems Chemie, Penta Manufacturing Co.

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

782

Terpineol, alphaPARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Terpineol, alpha-

CAS #

-

IUPAC name

2-(4-methyl-1-cyclohex-3-enyl)propan2-ol

Common name

alpha,alpha,4-trimethyl-3-cyclohexene1-methanol

Empirical formula

-

10482-56-1

C10H18O

Formula OH

Molecular mass

daltons

154.25

RTECS number

-

WZ6700000

Chemical category

-

terpene

Mixture

-

N

EC number

-

233-986-8

State

-

S

Odor

-

lilac-like

Color

colorless to pale yellow

Boiling point

o

C

Freezing point

o

C

Refractive index at 20oC

-

1.4813

Specific gravity

-

0.936

Specific gravity temperature

o

Vapor density

air=1

5.32

Vapor pressure

kPa

0.67

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

0.01

Corrosivity

-

N

PHYSICAL PROPERTIES

217.5 31.0

C

35

C

80

Molar volume

cm mol

Viscosity

mPas (cP)

Viscosity temperature

o

3

C

-1

167.0 36.5 25

Surface tension at 20 C

mN m

Solubility in water at 20oC

mg kg-1

traces

Heat of combustion at 25 C

MJ kg

40.96

o

o

-1

-1

31.60

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

783

Terpineol, alphaPARAMETER

UNIT

VALUE

Hansen solubility parameters, (MPa)1/2

dD

17.2

dP

4.2

dH

11.1

Henry’s law constant

atm/m3-mol-1

1.58E-05

Relative permittivity

-

2.80

Flammability

2

Health

0

Reactivity

0

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R 36/38

Flash point

o

Flash point method

-

COC

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

4300

Route of entry

Con

Skin irritation

Causes skin irritation

Eye irritation

Causes serious eye irritation

Inhalation

May cause respiratory tract irritation.

First aid: eyes

Rinse cautiously with water for several minutes. Remove contact lenses, if present. If irritation persists, get medical attention.

First aid: skin

Wash with plenty of soap and water. If irritation persists, get medical attention.

Target organs

Skin,Eye

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

C

90

ECOLOGICAL PROPERTIES Theoretical oxygen demand

g g-1

1.97

Bioconcentration factor

-

1.72

Biodegradation probability

-

weeks

Hydroxyl rate constant

cm3 molecule-1 s-1

9.49E-11

Montreal protocol

-

N

Partition coefficient

logKow

2.98

Urban ozone formation potential

C2H4=1

0.45

Soil absorption constant

-

1.76

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

784

Terpineol, alphaPARAMETER

UNIT

VALUE

USE & PERFORMANCE Recommended for products

Perfume manufacturing, soap manufacturing, hydrocarbon solvent, solvent for resins, cellulose esters, and ethers

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

785

3.22 Thiol derivatives Butyl mercaptan, nPARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Butyl mercaptan, n-

CAS #

-

109-79-5

IUPAC name

butane-1-thiolate

Common name

1-butanethiol

Common synonym

thiobutyl alcohol

Empirical formula

-

C4H10S

Formula

CH3(CH2)3SH

Molecular mass

daltons

90.2

RTECS number

-

EK6300000

Chemical category

-

thiol derivative

Mixture

-

N

EC number

-

203-705-3

-

L

PHYSICAL PROPERTIES State Odor

-

characteristic

Color

-

colorless

Boiling point

o

C

Freezing point

o

C

Refractive index at 20oC

-

1.4440

Specific gravity

-

0.830

Specific gravity temperature

o

Vapor density

air=1

3.10

Vapor pressure

kPa

4

Vapor pressure temperature

o

Enthalpy of vaporization

kJ mol

Enthalpy of vaporization temperature

K

371.6

Molar volume

cm3 mol-1

107.8

Coefficients of Antoine equation

coefficient A

4.05244

Temperature range of Antoine equation

98.0 -116.0

C

25

C

20 -1

32.23

coefficient B

1281.018

coefficient C

-55

K

324.5 to 408.8

Viscosity

mPas (cP)

Viscosity temperature

o

Solubility in water at 20oC

mg kg-1

600

Coefficient of thermal expansion

10-4 oC-1 (K-1)

11.60

C

0.44 25

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

786

3.22 Thiol derivatives Butyl mercaptan, nPARAMETER

UNIT

VALUE

Hansen solubility parameters, (MPa)1/2

dD

16.3

dP

5.3

Henry’s law constant

dH

4.5

atm/m3-mol-1

8.99E-03

Flammability

3

Health

3

Reactivity

0

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R11,R20/22

US safety phrases, S

S16

UN number

-

2347

UN/NA hazard class

3

UN packaging group

II

DOT class

UN 2347 Butyl mercaptans, 3, II

ICAO/IATA class, packaging group

UN 2347 Butyl mercaptans, 3, II

IMDG class, packaging group

UN 2347 Butyl mercaptans, 3, II

Proper shipping name

butyl mercaptans

Autoignition temperature

o

C

225

Flash point

o

C

12

Flash point method

-

CC 1.8

Threshold limiting value – TWA 8h, ACGIH

mg m

Threshold limiting value – TWA 8h, ACGIH

ppm

0.5

Threshold limiting value – TWA 8h, NIOSH

mg m-3

3

Threshold limiting value – TWA 8h, OSHA

mg m-3

35

Threshold limiting value – TWA 8h, OSHA

ppm

10

Maximum exposure concentration NIOSH-IDLH

ppm

500

Maximum concentration, any time, ACGIH

mg m-3

1.3

Maximum concentration, any time, ACGIH

ppm

0.5

Maximum concentration, any time, OSHA

mg m

Maximum concentration, any time, OSHA

ppm

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

1,500

Animal testing, acute toxicity, Mouse oral LD50

mg kg

3,000

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

Ingestion

Harmful if swallowed

Skin irritation

Causes skin irritation

Eye irritation

Causes eye irritation

-3

35

-3

10 -1

4,020/4H

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

787

3.22 Thiol derivatives Butyl mercaptan, nPARAMETER

UNIT

VALUE

Inhalation

May cause irritation of respiratory tract

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Montreal protocol

-

N

Partition coefficient

logKow

2.28

USE & PERFORMANCE Manufacturer

Elf Atochem, Arkema

Recommended for products

pesticides, rubber, synthesis

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

788

Carbon disulfide PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Carbon disulfide

CAS #

-

75-15-0

IUPAC name

methanedithione

Empirical formula

-

CS2

Formula

S

C

S

Molecular mass

daltons

76.1

RTECS number

-

FF6650000

Chemical category

-

thiol derivative

Mixture

-

N

EC number

-

200-843-6

State

-

L

Odor

-

characteristic

Odor threshold

ppm

0.2

Color

-

colorless

Boiling point

o

C

46.3

Freezing point

o

C

-110.0

PHYSICAL PROPERTIES

Refractive index at 20 C o

-

1.6240

Specific gravity

-

Specific gravity temperature

o

1.293

Vapor density

air=1

2.63

Vapor pressure

kPa

39.48

Vapor pressure temperature

o

Enthalpy of vaporization

kJ mol

Enthalpy of vaporization temperature

K

Acceptor number

-

Donor number

kcal mol

Polarity parameter, ET(30)

kcal mol-1

32.8

Molar volume

cm mol

60.6

Coefficients of Antoine equation

coefficient A

4.06683

coefficient B

1168.62

coefficient C

-31.616

Temperature range of Antoine equation

K

276.7 to 353.1

Viscosity

mPas (cP)

0.36

Viscosity temperature

o

C

0

C

20 319.4 7.5

3

C

26.74

-1

-1

-1

2.0

25

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

789

Carbon disulfide PARAMETER

UNIT

VALUE

Surface tension at 20oC

mN m-1

32.00

Solubility in water at 20 C

mg kg-1

Coefficient of thermal expansion

10

Hildebrand solubility parameter

(MPa)1/2

19.92

dD

20.2

dP

0.0

o

Hansen solubility parameters, (MPa)

1/2

-4 o

2,000

C (K ) -1

-1

dH

12.33

0.6

Henry’s law constant

atm/m -mol

Relative permittivity

-

2.60

Flammability

3

Health

2

Reactivity

0

Flammability

3

Health

2

Reactivity

0

3

-1

3.03E-02

HEALTH & SAFETY NFPA classification

HMIS classification

UN risk phrases, R

R11,R62-63,R48/23,R36/38

US safety phrases, S

S16,S33,S36/37,S45

UN number

-

UN/NA hazard class

3

UN packaging group

I

DOT class

UN 1131 Carbon disulfide, 3 (6.1), I

ICAO/IATA class, packaging group

forbidden

IMDG class, packaging group

UN 1131 Carbon disulfide, 3 (6.1), I

Proper shipping name

carbon disulfide

Flash point

o

Flash point method

-

CC

Explosion limit, lower

wt%

1.30

Explosion limit, upper

wt%

50.0

Threshold limiting value – TWA 8h, ACGIH

mg m-3

31

Threshold limiting value – TWA 8h, ACGIH

ppm

10

1131

C

-30.0

Threshold limiting value – TWA 8h, NIOSH

mg m

30

Threshold limiting value – TWA 8h, NIOSH

ppm

10

Threshold limiting value – TWA 8h, OSHA

ppm

4

Maximum exposure concentration NIOSH-IDLH

ppm

Maximum concentration, any time, ACGIH

mg m

31

Maximum concentration, any time, ACGIH

ppm

10

-3

500 -3

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

790

Carbon disulfide PARAMETER

UNIT

VALUE

Maximum concentration, any time, NIOSH

mg m-3

3

Maximum concentration, any time, NIOSH

ppm

1

Maximum concentration, 15 min., OSHA

ppm

12

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

3,188

Animal testing, acute toxicity, Mouse oral LD50

mg kg

2,780

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

Route of entry

Skin, Eye

Skin irritation

Causes skin irritation

Eye irritation

Causes serious eye irritation

Inhalation

Hazardous in case of inhalation

First aid: eyes

Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician

First aid: skin

Wash off with soap and plenty of water. Take victim immediately to hospital. Consult a physician

First aid: inhalation

If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician

Chronic effects

Causes damage to organs through prolonged or repeated exposure if inhaled

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

-1

4,000/30M

ECOLOGICAL PROPERTIES Montreal protocol

-

N

Partition coefficient

logKow

1.94

USE & PERFORMANCE Recommended for products

resin synthesis, pharmaceuticals, agriculture, mining, rubber

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

791

Dimethyl sulfide PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Dimethyl sulfide

CAS #

-

75-18-3

IUPAC name

methylsulfanylmethane

Common name

dimethyl thioether

Common synonym

methyl sulfide

Acronym

-

DMS

Empirical formula

-

C2H6S

Formula

CH3SCH3

Molecular mass

daltons

62.1

RTECS number

-

PV5075000

Chemical category

-

thiol derivative

Mixture

-

N

EC number

-

200-846-2

-

L

PHYSICAL PROPERTIES State Odor

-

characteristic

Odor threshold

ppm

0.063

Color

-

colorless

Boiling point

o

C

37.0

Freezing point

o

C

-98.0

Refractive index at 20 C o

-

1.4320

Specific gravity

-

Specific gravity temperature

o

0.850

Vapor density

air=1

2.14

Vapor pressure

kPa

53

Vapor pressure temperature

o

C

21

C

25 27.00

Enthalpy of vaporization

kJ mol

Enthalpy of vaporization temperature

K

Donor number

kcal mol-1

40.0

Polarity parameter, ET(30)

kcal mol

-1

26.8

Molar volume

cm3 mol-1

73.7

Coefficients of Antoine equation

coefficient A

4.28713

Temperature range of Antoine equation

-1

310.5

coefficient B

1201.134

coefficient C

-29.906

K

250.6 to 293.2

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

792

Dimethyl sulfide PARAMETER

UNIT

VALUE

Viscosity

mPas (cP)

Viscosity temperature

o

Surface tension at 20oC

mN m-1

Solubility in water at 20oC

mg kg-1

Coefficient of thermal expansion

10

Hildebrand solubility parameter

(MPa)

Hansen solubility parameters, (MPa)1/2

dD

16.1

dP

6.4

0.28

C

25

-4 o

26.50 6,000

C (K ) -1

-1

1/2

14.20 18.16

dH

7.4

Henry’s law constant

atm/m3-mol-1

2.00E-03

Relative permittivity

-

6.30

HEALTH & SAFETY UN risk phrases, R

R11,R22,R36/38

US safety phrases, S

S2,S16,S23,S33

UN number

-

UN/NA hazard class

3

1164

UN packaging group

II

ICAO/IATA class, packaging group

UN 1164 DIMETHYL SULPHIDE, 3, II

IMDG class, packaging group

UN 1164 DIMETHYL SULPHIDE, 3, II

Proper shipping name

dimethyl sulphide

Autoignition temperature

o

C

206

Flash point

o

C

-36.0

Flash point method

-

CC

Explosion limit, lower

wt%

2.20

Explosion limit, upper

wt%

19.70

Animal testing, acute toxicity, Rat oral LD50

-1

mg kg

3,300

Animal testing, acute toxicity, Mouse oral LD50

mg kg-1

3,700

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

5,000

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

-1

ECOLOGICAL PROPERTIES Montreal protocol

-

N

Partition coefficient

logKow

0.84

USE & PERFORMANCE Manufacturer

Elf Atochem B.V., Merck Schuchardt OHG

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

793

Tetramethylene sulfide PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Tetramethylene sulfide

CAS #

-

IUPAC name

thiolane

110-01-0

Common name

tetrahydrothiophene

Common synonym

thiocyclopentane

Acronym

-

THT

Empirical formula

-

C4H8S

Formula

S Molecular mass

daltons

88.17

RTECS number

-

XN0370000

Chemical category

-

thiol derivative

Mixture

-

N

EC number

-

203-728-9

Product contents

assay 99-100 wt%

PHYSICAL PROPERTIES State

-

L

Odor

-

characteristic

Color

-

colorless

Boiling point

o

C

119.0

Freezing point

o

C

-96.20

Refractive index at 20 C o

-

1.5020

Specific gravity

-

Specific gravity temperature

o

1.000

Vapor density

air=1

3.05

Vapor pressure

kPa

2.4

Vapor pressure temperature

o

C

25

C

25 34.66

Enthalpy of vaporization

kJ mol

Enthalpy of vaporization temperature

K

Polarity parameter, ET(30)

kcal mol-1

36.8

Molar volume

cm mol

88.3

Coefficients of Antoine equation

coefficient A

4.1203

coefficient B

1401.939

Temperature range of Antoine equation

-1

394.3 3

-1

coefficient C

-53.543

K

344.3 to 433.6

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

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Tetramethylene sulfide PARAMETER

UNIT

Viscosity

mPas (cP)

Viscosity temperature

o

Solubility in water at 20oC

mg kg-1

traces

Coefficient of thermal expansion

10-4 oC-1 (K-1)

7.71

Hildebrand solubility parameter

(MPa)1/2

20.13

dD

18.6

dP

6.7

dH

6.0

Flammability

3

Health

2

Reactivity

0

Hansen solubility parameters, (MPa)

1/2

C

VALUE 0.971 25

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R11,R20/21/22,R36/38,R52,R53

US safety phrases, S

S16,S23,S36/37,S61

UN number

-

UN/NA hazard class

3

UN packaging group

II

DOT class

UN 2412 TETRAHYDROTHIOPHENE, 3, II

ICAO/IATA class, packaging group

UN 2412 TETRAHYDROTHIOPHENE, 3, II

IMDG class, packaging group

UN 2412 TETRAHYDROTHIOPHENE, 3, II 13°C c.c.), MARINE POLLUTANT

Proper shipping name

tetrahydrothiophene

Autoignition temperature

o

C

200

Flash point

o

C

13.0

Flash point method

-

TOC

Explosion limit, lower

wt%

1.10

Explosion limit, upper

wt%

12.30

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

1,850

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

27,000/2H

Route of entry

Inh

Ingestion

May be harmful if swallowed.

Skin irritation

Irritating to skin.

Eye irritation

Causes serious eye irritation.

Inhalation

Harmful by inhalation.

2412

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

795

Tetramethylene sulfide PARAMETER

UNIT

VALUE

First aid: eyes

Flush eyes with large amounts of water until irritation subsides. If irritation persists, get medical attention.

First aid: skin

Wash with plenty of soap and water. If irritation persists, get medical attention.

First aid: inhalation

Remove to fresh air. Respiratory support. Call for prompt medical attention.

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Aquatic toxicity, Daphnia magna, 48-h LC50

mg l-1

24.0

Montreal protocol

-

N

Partition coefficient

logKow

1.79

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

796

Thiodiglycol PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Thiodiglycol

CAS #

-

111-48-8

IUPAC name

2-(2-hydroxyethylsulfanyl)ethanol

Common name

2,2'-thiobis-ethanol

Common synonym

beta-thiodiglycol

Empirical formula

-

C4H10O2S

Formula

HOCH2CH2SCH2CH2OH

Molecular mass

daltons

122.18

RTECS number

-

KM2975000

Chemical category

-

thiol derivative

Mixture

-

N

EC number

-

203-874-3

State

-

L

Odor

-

characteristic

Color

-

colorless

Boiling point

o

C

283.0

Freezing point

o

C

-10.20

PHYSICAL PROPERTIES

Refractive index at 20 C

-

1.5190

Specific gravity

-

1.180

Specific gravity temperature

o

Vapor density

air=1

4.21

Vapor pressure

kPa

0.00043

Vapor pressure temperature

o

Polarity parameter, ET(30)

kcal mol-1

54.5

Molar volume

cm mol

103.2

Coefficients of Antoine equation

coefficient A

1.52805

coefficient B

1290.85

coefficient C

-21.677

Temperature range of Antoine equation

K

315.0 to 558.0

Viscosity

mPas (cP)

0.84

Viscosity temperature

o

o

C

20

C

25 3

C

25

Solubility in water at 20 C

mg kg

Hildebrand solubility parameter

(MPa)1/2

o

-1

-1

miscible 26.02

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

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Thiodiglycol PARAMETER

UNIT

VALUE

Hansen solubility parameters, (MPa)1/2

dD

17.6

dP

9.6

dH

21.7

Flammability

1

Health

2

HEALTH & SAFETY NFPA classification

HMIS classification

UN risk phrases, R

Reactivity

0

Flammability

1

Health

2

Reactivity

0

R36

US safety phrases, S

S2

UN number

-

UN/NA hazard class

not regulated

DOT class

not regulated

Autoignition temperature

o

C

245

Flash point

o

C

165.0

Flash point method

-

Explosion limit, lower

wt%

Animal testing, acute toxicity, Rat oral LD50

3334

OC 1.60 -1

mg kg

6,610

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

-1

20,000

Ingestion

May cause gastrointestinal irritation with nausea, vomiting and diarrhea.

Skin irritation

May cause irritation and dermatitis.

Eye irritation

Mildly irritating to the eyes

Inhalation

May cause respiratory tract irritation.

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Montreal protocol

-

N

Partition coefficient

logKow

-0.63

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

798