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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:
29/09/2015 to 05/10/2015
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Deviations:
no
Principles of method if other than guideline:
None
GLP compliance:
no
Type of method:
shake-flask method to: flask method
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
SOURCE OF TEST MATERIAL
- Source and lot/batch number of test material: MC-9
Analytical method:
photometric method
Type:
Pow
Partition coefficient:
0
Temp.:
20 °C
Remarks on result:
other: pH is not available
Key result
Type:
log Pow
Partition coefficient:
-3.52
Temp.:
20 °C
Remarks on result:
other: pH is not available
Details on results:
According to this preliminary test the solubility of the test item in n-octanol is below 0.2 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 = csoctanol / cswater
s: saturation
With the data obtained from the experiments in chapter 3.5.1 (csoctanol < 0.2 g/l) and the preliminary test (cswater = 434 g/l), the partition coefficient was calculated as log POW -3.3.
Due to the fact that the estimated log Pow is below -2, the partition coefficient n-octanol/water has to be estimated from the individual solubility in water and n-octanol.

Determination of the solubility in the n-Octanol phase:
Flask Method: Average 3 experiments: 131 mg/l. The recovery range from 98.7 % to 100.2 % indicates a sufficient accuracy of the analytical method.

Calculation of the partition coefficient log Pow from the individual solubility
By means of the flask method, the saturation concentration of the test item in n-octanol was determined to: csoctanol = 0.131 g/l
By means of the flask method, the saturation concentration of the test item in water was determined to: cswater = 434 g/l
Conclusions:
The n-octanol/water partition coefficient (log Pow) of FAT 40034/F at 20 °C was determined to be -3.52.
Executive summary:

The n-octanol/water partition coefficient of the test item was evaluated in a study conducted according to the EU Method A.8, OECD Guideline 107 and OECD Guideline 117. Flask method was used for this purpose. Based on the findings of the study, the n-octanol/water partition coefficient (log Pow) of FAT 40034/F at 20 °C was determined to be -3.52 (Pow = 3.02 x 10 -4).

Description of key information

The n-octanol/water partition coefficient of the test item was evaluated in a study conducted according to the EU Method A.8, OECD Guideline 107 and OECD Guideline 117. Flask method was used for this purpose. Based on the findings of the study, the n-octanol/water partition coefficient (log Pow) of FAT 40034/F at 20 °C was determined to be -3.52 (Pow = 3.02 x 10-4).

Key value for chemical safety assessment

Log Kow (Log Pow):
-3.52
at the temperature of:
20 °C

Additional information