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Diss Factsheets

Physical & Chemical properties

Endpoint summary

Administrative data

Description of key information

Additional information

 


 

Table 1, Physical and Chemical Properties of 2-methylbutyl acrylate (CAS# 44914-03-6)

Property

IUCLID Section number

REACh Column 1 number

Value

Data source

Klimisch rank

Note

Appearance/physical state/color

4.1

7.1

Clear, colourless liquid

Experimental

1

 

Melting point/Freezing point

4.2

7.2

≤-75 °C

Experimental

1

 

Boiling point

4.3

7.3

161.7 °C at 101.3 kPa

Experimental

2

Density

4.4

7.4

0.8886 g/cm3 at 25 °C

Experimental

2

 

Particles size distribution (Granulometry)

4.5

7.14

Not applicable

Waiving argument

N/A

Substance is a liquid 

Vapour pressure

4.6

7.5

1.7 hPa at 20 °C

Experimental

2

Partition coefficient (log Kow)

4.7

7.8

2.90

Experimental

1

 

Water Solubility

4.8

7.7

316 mg/L at 23.1 °C

Experimental

2

 

Surface tension

4.10

7.6

Not applicable

Waiving argument

N/A

Surfactancy not expected or desired property of substance

Flash point

4.11

7.9

49 °C

Experimental

1

 

Autoflammability

4.12

7.12

275 °C at 102.0 - 102.8 kPa

Experimental

1

 

Flammability

4.13

7.10

Flammable liquid 3 based on Flash Point.  No emanation of flammable gasses or spontaneous ignition on contact with water or air

Waiving argument

N/A

Flash point = 49 °C, but no emanation of flammable gasses or spontaneous ignition 

Explosiveness

4.14

7.11

Not applicable

Waiving argument

N/A

Consideration based on structure

Oxidizing properties

4.15

7.13

Not applicable

Waiving argument

N/A

Consideration based on structure

Stability in organic solvents and identity of relevant degradation products

4.17

7.15

Not applicable

Waiving argument

N/A

Stability not regarded to be critical 

Dissociation constant

4.21

7.16

Not applicable

Waiving argument

N/A

No dissociable groups 

Viscosity

4.22

7.17

0.998 mPa s at 25 °C

Experimental

2

 


Result from studies of n-butyl acrylate (n-BA, CAS# 141-32-2) will be used extensively in read-across to fill gaps regarding toxicity in the 2-methylbutyl acrylate data set.  Read-across from n-BA and isooctyl acrylate (CAS# 29590-42-9) will also be used to support existing ecotoxicology and fate data.  To help justify read-across of data, the following physical-chemical data are provided:

 

Data matrix – Analog approach

Target substance

Source substance (1)

Source substance (2)

CHEMICAL NAME

2-methylbutyl acrylate

n-butyl acrylate

Isooctyl acrylate

CAS#

44914-03-6

141-32-2

29590-42-9

Molecular formula

C8H14O2

C7H12O2

C11H20O2

(on average)

Molecular Weight

142.2

128.2

184.3 (on average)

PHYSICO-CHEMICAL DATA     

Melting Point

Experimental:

≤ -75 °C

Not available

Experimental:

< -90 °C at 1004 hPa

Boiling Point

Experimental:

161.7 °C at 1013hPa

Experimental:

147 °C at 1013hPa

Experimental:

196.8 °C at 1016 hPa

Density

Experimental:

0.8886 g/cm3 at 25 °C

Experimental:

0.9 g/cm3 at 20.0 °C

Experimental:

0.885 g/cm3 at 20.0 °C

Vapour Pressure

Experimental:

1.7 hPa at 20°C

Experimental:

5 hPa at 22.2°C

Experimental:

1 hPa at 20 °C

Partition Coefficient (log KOW)

Experimental:

2.9

Experimental:

2.38 (at 25°C)

Experimental:

4.5 - 4.7

Water Solubility

Experimental:

316 mg/L at 23 °C

Not available

Experimental:

12.44 mg/L at 23.1 °C