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Solubility in organic solvents / fat solubility

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Reference
Endpoint:
solubility in organic solvents / fat solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
07 Dec 2016 to 15 Dec 2016
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
comparable to guideline study
Qualifier:
according to guideline
Guideline:
other: CIPAC method MT 157.3 (water solubility: flask method)
GLP compliance:
yes
Medium:
acetone
Solubility:
270 g/L
Temp.:
25 °C
Medium:
other: dichloromethane
Solubility:
400 g/L
Temp.:
25 °C
Medium:
ethyl acetate
Solubility:
190 g/L
Temp.:
25 °C
Medium:
other: hexane
Solubility:
39 g/L
Temp.:
25 °C
Medium:
methanol
Solubility:
75 g/L
Temp.:
25 °C
Medium:
n-octanol
Solubility:
17 g/L
Temp.:
25 °C
Medium:
toluene
Solubility:
33 g/L
Temp.:
25 °C
Test substance stable:
yes

Table 1: Results of solubility testing

Acetone

25.3272 g of test substance dispersed in 50.0 mL of solvent

equilibrium time at 25 °C

1 day

2 days

solubility (g/L)

264.562

270.373

solubility (g/L)

270

Dichloromethane

25.4140 g of test substance dispersed in 50.0 mL of solvent

equilibrium time at 25 °C

1 day

2 days

solubility (g/L)

396.381

393.741

solubility (g/L)

400

Ethyl Acetate

24.3163 g of test substance dispersed in 50.0 mL of solvent

equilibrium time at 25 °C

1 day

2 days

solubility (g/L)

186.088

197.049

solubility (g/L)

190

Hexane

20.4749 g of test substance dispersed in 50.0 mL of solvent

equilibrium time at 25 °C

1 day

2 days

solubility (g/L)

39.308

37.983

solubility (g/L)

39

Methanol

25.1267 g of test substance dispersed in 50.0 mL of solvent

equilibrium time at 25 °C

1 day

2 days

solubility (g/L)

75.193

74.678

solubility (g/L)

75

Octanol

25.1326 g of test substance dispersed in 50.0 mL of solvent

equilibrium time at 25 °C

1 day

2 days

solubility (g/L)

16.982

16.907

solubility (g/L)

17

Toluene

24.9029 g of test substance dispersed in 50.0 mL of solvent

equilibrium time at 25 °C

1 day

2 days

solubility (g/L)

33.735

32.935

solubility (g/L)

33

 

Conclusions:
The solubility in five different organic solvents has been determined ranged from 17 g/L in octanol to 400 g/L in dichloromethane
Executive summary:

The solubility of the test substance has been determined in seven organic solvents. As there is no general method available for the determination of the solubility in organic solvents, a procedure similar to that described in CIPAC method MT 157.3 (water solubility: flask method) was used in this study under GLP conditions.  The solubilities determined at 25 °C and quoted to two significant figures are as follows: 270 g/Lf or acetone, 400 g/L for dichloromethane , 190 g/L for ethyl acetate, 39 mg/L for hexane, 75 g/L methanol, 17 g/L octanol and 33 g/L toluene.

Description of key information

The test substance can be considered completely miscible in organic solvents and the solubility ranged from 17 g/L in octanol to 400 g/L in dichloromethane. Vijayakumar 2017

Key value for chemical safety assessment

Additional information