Registration Dossier

Physical & Chemical properties

Solubility in organic solvents / fat solubility

Currently viewing:

Administrative data

Link to relevant study record(s)

Reference
Endpoint:
solubility in organic solvents / fat solubility
Type of information:
experimental study
Adequacy of study:
supporting study
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to
Guideline:
other: OECD Guideline No. 105
Deviations:
no
Qualifier:
according to
Guideline:
other: OPPTS 830.7840
Deviations:
no
Qualifier:
according to
Guideline:
other: CIPAC MT 181
Deviations:
no
GLP compliance:
yes
Key result
Medium:
acetonitrile
Solubility:
91.525 g/L
Temp.:
20 °C
Key result
Medium:
methanol
Solubility:
19.748 g/L
Temp.:
20 °C
Key result
Medium:
acetone
Solubility:
116.511 g/L
Temp.:
20 °C
Key result
Medium:
ethyl acetate
Solubility:
18.312 g/L
Temp.:
20 °C
Key result
Medium:
other: Dichloromethane
Solubility:
64.656 g/L
Temp.:
20 °C
Key result
Medium:
other: o-Xylene
Solubility:
0.799 g/L
Temp.:
20 °C
Key result
Medium:
n-octanol
Solubility:
1.153 g/L
Temp.:
20 °C
Key result
Medium:
other: n-Hexane
Solubility:
0 g/L
Temp.:
20 °C
Remarks on result:
other: Below LOQ
Conclusions:
Mean solubility at 20 ± 0.5°C in various solvents
Acetonitrile: 91.525 g/L
Methanol: 19.748 g/L
Acetone: 116.511 g/L
Ethyl acetate: 18.312 g/L
Dichloromethane: 64.656 g/L
o-Xylene: 0.799 g/L
n-Octanol: 1.153 g/L
n-Hexane: Below LOQ (0.000230 g/L)
Executive summary:

This study was conducted to determine the solubility of the test substance in organic solvents according to the guidelines OECD Guideline No. 105, OPPTS 830.7840 and CIPAC MT 181.

The shake flask method was carried out to determine the solubility of the test substance in acetonitrile, methanol, acetone, ethyl acetate, dichloromethane, o-xylene, n-octanol and n-hexane, at 20 ± 0.5°C. Saturated solutions in each solvent were prepared and analysed for the test substance by high performance liquid chromatography (HPLC). The overall mean solubility (g/L) of the test substance determined by the shake flask method in various solvents is as follows:

Acetonitrile: 91.525 g/L

Methanol: 19.748 g/L

Acetone: 116.511 g/L

Ethyl acetate: 18.312 g/L

Dichloromethane: 64.656 g/L

o-Xylene: 0.799 g/L

n-Octanol: 1.153 g/L

n-Hexane: Below LOQ (0.000230 g/L)

Description of key information

OECD Guideline 105

Key value for chemical safety assessment

Additional information

Mean solubility at 20 ± 0.5°C in various solvents

Acetonitrile: 91.525 g/L

Methanol: 19.748 g/L

Acetone: 116.511 g/L

Ethyl acetate: 18.312 g/L

Dichloromethane: 64.656 g/L