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Physical & Chemical properties

Solubility in organic solvents / fat solubility

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Link to relevant study record(s)

Reference
Endpoint:
solubility in organic solvents / fat solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
4 Feb 2002 - 12 Feb 2002
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
other: OECD Guideline 105 (Water solubility)
Version / remarks:
OECD Guideline 105 (Water solubility) was used to determine the solubility of the test item in organic solvents at 20 °C by flask method.
Following polar and non-polar solvents were chosen: ethanol, n-hexane, toluene, dichloromehtane, acetone, ethylacetate and dimethyl sulfoxide.
GLP compliance:
yes (incl. QA statement)
Remarks:
Hess. Ministerium für Umwelt, Landwirtschaft und Forsten, Wiesbaden, Germany
Key result
Medium:
ethanol
Solubility:
6.7 g/L
Temp.:
20 °C
Key result
Medium:
other: n-hexane
Solubility:
33.5 mg/L
Temp.:
20 °C
Key result
Medium:
toluene
Solubility:
48.2 g/L
Temp.:
20 °C
Key result
Medium:
other: dichloromethane
Solubility:
> 600 g/L
Temp.:
20 °C
Key result
Medium:
acetone
Solubility:
>= 200 - <= 300 g/L
Temp.:
20 °C
Key result
Medium:
ethyl acetate
Solubility:
70 g/L
Temp.:
20 °C
Key result
Medium:
DMSO
Solubility:
> 300 - <= 600 g/L
Temp.:
20 °C

Results of the preliminary range-finding study:

 Solvent

 Solubility at 20 °C

[g/L]
 ethanol  5 - 10
 n-hexane  < 1
 toluene  20 - 50
 dichlorometane  > 100
 acetone  > 100
 ethylacetate  50 - 100
 dimethyl sulfoxide

 > 100

Result of the direct addition method:

 Solvent

 Solubility at 20 °C

[g/L]
 dichlorometane  > 600
 acetone 200 - 300
 dimethyl sulfoxide

 300 - 600

Results of the analytical method:

 Solvent  Experimental Data  Solubility at 20 °C
 ethanol  equilibrium approached from possible undersaturation  6.452 g/L
 ethanol  equilibrium approached from possible undersaturation  6.619 g/L
 ethanol  equilibrium approached from possible super saturation  6.598 g/L
 ethanol  equilibrium approached from possible super saturation  7.227 g/L
n-hexane  equilibrium approached from possible undersaturation  34.492 mg/L
 n-hexane   equilibrium approached from possible undersaturation  32.319 mg/L
 n-hexane   equilibrium approached from possible super saturation  33.069 mg/L
 n-hexane  equilibrium approached from possible super saturation  34.164 mg/L
 toluene  equilibrium approached from possible undersaturation  46.488 g/L
 toluene  equilibrium approached from possible undersaturation  45.153 g/L
 toluene  equilibrium approached from possible super saturation  54.474 g/L
 toluene  equilibrium approached from possible super saturation  46.776 g/L
 ethylacetate  equilibrium approached from possible undersaturation  70.707 g/L
 ethylacetate  equilibrium approached from possible undersaturation  70.574 g/L
 ethylacetate  equilibrium approached from possible super saturation  69.754 g/L
 ethylacetate  equilibrium approached from possible super saturation  68.822 g/L

Description of key information

Solubility in organic solvents at 20 °C:


ethanol: 6.7 g/L


n-hexane: 33.5 mg/L


toluene: 48.2 g/L


dichloromethane: > 600 g/L


acetone: 200 - 300 g/L


ethylacetate: 70.0 g/L


dimethyl sulfoxide: 300 - 600 g/L


(OECD Guideline 105, Flask method)

Key value for chemical safety assessment

Additional information