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Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
Experimental starting date: 07/12/2015 - Experimental completion date: 18/12/2015
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Justification for type of information:
None
Qualifier:
according to
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Deviations:
no
Qualifier:
according to
Guideline:
EU Method A.8 (Partition Coefficient - Shake Flask Method)
Deviations:
no
GLP compliance:
no
Type of method:
flask method
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
SOURCE OF TEST MATERIAL
- Code number of the test material as used in the study report: FAT 65004/F TE
- Source and lot No.of test material: Lot: 1502011
- Appearance: Yellowish powder
Analytical method:
photometric method
Key result
Type:
log Pow
Partition coefficient:
3.91
Temp.:
20 °C
Remarks on result:
other: pH not available
Type:
Pow
Partition coefficient:
8 094
Temp.:
20 °C
Remarks on result:
other: PH not available
Details on results:
Individual Results:
Preliminary visual estimation of the n-octanol solubility:
1 mg of the test item were stirred with different amounts of n-octanol at room temperature and visually checked for any undissolved particles. According to this preliminary test the solubility of the test item in n-octanol is above 2 g/L (without correction of the purity).

Calculation of the partition coefficient log Pow from the preliminary tests:
The partition coefficient Pow may be estimated from the saturation concentrations in n-octanol and water by the following equation:
Pow = Cs octanol / Cs water

s: saturation

As Cs octanol > 2 g/L and the Cs water = 0.29 mg/L (preliminary test) are known, the partition coefficient was calculated as log Pow >3.8.

Due to the fact that the estimated log Pow is around 4, the partition coefficient n-octanol/water has to be estimated from the individual solubilities in water and n-octanol.

Determination of the solubility in the n-octanol phase: Flask Method:
Average of 3 experiments: 2.33 g/L
The recovery range from 96.2 % to 102 % indicates a sufficient accuracy of the analytical method.

By means of the flask method, the saturation concentration of the test item in water was determined to: Cs water 0.00029 g/L

The recovery range from 101.5 % to 101.8 % indicated a sufficient accuracy of the analytical method.

Calculation of the partition coefficient log Pow from the individual solubility in water and n-octanol:
By means of the flask method, the saturation concentration of the test item in n-octanol was determined to be: Cs octanol = 2.33 g/L
By means of the flask method, the saturation concentration of the test item in water was determined to be: cs water 0.00029 g/L.

Pow = cs octanol / cs water: 2.33 g/L / 0.00029 g/L.
Pow: 8094
Log pow: 3.91

None

Conclusions:
The n-octanol/water partition coefficent of the test item at 20 °C, from the individual solubility in water and n-octanol, was determined to be (log Pow) 3.91.
Executive summary:

A test was conducted to evaluate the n-octanol water partition coefficient of the test substance according to the OECD Guideline 107 and 117 as well as EU Method A.8. Flask method was used for this purpose. Based on the findings of the study, the n-octanol/water partition coefficent of the test item at 20 °C, from the individual solubility in water and n-octanol, was determined to be (log Pow) 3.91.

Description of key information

The n-octanol/water partition coefficent of the test item at 20 °C, from the individual solubility in water and n-octanol, was determined to be (log Pow) 3.91.

Key value for chemical safety assessment

Log Kow (Log Pow):
3.91
at the temperature of:
20 °C

Additional information

A test was conducted to evaluate the n-octanol water partition coefficient of the test substance according to the OECD Guideline 107 and 117 as well as EU Method A.8. Flask method was used for this purpose. Based on the findings of the study, the n-octanol/water partition coefficent of the test item at 20 °C, from the individual solubility in water and n-octanol, was determined to be (log Pow) 3.91.