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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:
22/09/2014 - 22/09/2014
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
test procedure in accordance with generally accepted scientific standards and described in sufficient detail
Justification for type of information:
Data is from experimental study report
Qualifier:
according to guideline
Guideline:
other: as mentioned below
Principles of method if other than guideline:
Organic solvent solubility of test substance was determined
GLP compliance:
no
Specific details on test material used for the study:
- Common name: 3-(5,5,6-Trimethylbicyclo(2.2.1)hept-2-yl)cyclohexanol
- Molecular formula: C16-H28-O
- Molecular weight: 236.396 g/mol
- SMILEY: CC1C2CC(CC2C2CCCC(O)C2)C1(C)C
- InChi: 1S/C16H28O/c1-10-14-8-12(16(10,2)3)9-15(14)11-5-4-6-13(17)7-11/h10-15,17H,4-9H2,1-3H3
- Substance type: Organic
- Physical state: Liquid
Key result
Medium:
acetone
Solubility:
> 1 000 g/L
Temp.:
28 °C
Remarks on result:
other: soluble
Key result
Medium:
ethanol
Solubility:
> 1 000 g/L
Temp.:
28 °C
Remarks on result:
other: soluble
Key result
Medium:
dimethylformamide
Solubility:
> 1 000 g/L
Temp.:
28 °C
Remarks on result:
other: soluble
Key result
Medium:
methanol
Solubility:
> 1 000 g/L
Temp.:
28 °C
Remarks on result:
other: soluble
Key result
Medium:
toluene
Solubility:
> 1 000 g/L
Temp.:
28 °C
Remarks on result:
other: soluble
Key result
Medium:
acetonitrile
Solubility:
> 100 - < 200 g/L
Temp.:
28 °C
Remarks on result:
other: moderately soluble
Conclusions:
The solubility determination of test substance in various organic solvents was done with acetone, acetonitrile, methanol, ethanol, toluene and Dimethylformamide (DMF). The solubility of the test substance in acetone,methanol, ethanol, toluene and DMF was determine to be greater than 1000 g/l whereas the solubility value in acetonitrile was determine to be in the range of 100 – 200g/l respectively at 28 °C.
Executive summary:

The solubility determination of test substance in various organic solvents was done with acetone, acetonitrile, methanol, ethanol, toluene and Dimethylformamide (DMF). The solubility of the test substance in acetone,methanol, ethanol, toluene and DMF was determine to be greater than 1000 g/l whereas the solubility value in acetonitrile was determine to be in the range of 100 – 200g/l respectively at 28 °C.

Description of key information

The solubility determination of test substance in various organic solvents was done with acetone, acetonitrile, methanol, ethanol, toluene and Dimethylformamide (DMF). The solubility of the test substance in acetone,methanol, ethanol, toluene and DMF was determine to be greater than 1000 g/l whereas the solubility value in acetonitrile was determine to be in the range of 100 – 200g/l respectively at 28 °C.

Key value for chemical safety assessment

At the temperature of:
28 °C
Solubility in organic solvents at 20°C:
1 000 g/L

Additional information

The solubility determination of test substance in various organic solvents was done with acetone, acetonitrile, methanol, ethanol, toluene and Dimethylformamide (DMF). The solubility of the test substance in acetone,methanol, ethanol, toluene and DMF was determine to be greater than 1000 g/l whereas the solubility value in acetonitrile was determine to be in the range of 100 – 200g/l respectively at 28 °C.

From other experimental value of solubility of test chemical in methanol at 37 degC was determine to be 1000000 mg/L and the value in Petroleum ether at 37 deg C was also determine to be 1000000 mg/L .

From abve both experimental reports, it indicates that the substance is very soluble in organic solvents like ethanol, methanol, toluene, DMF, acetone and petroleum ether and moderately soluble in acetonitrile.