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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:
12 December 2014 - 09 May 2015
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
equivalent or similar 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:
yes
Type of method:
flask method
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
- Batch: PFW-120356
- Expiration date: Not supplied
- Storage conditions: Room temperature in the dark
Analytical method:
high-performance liquid chromatography
mass spectrometry
Key result
Type:
log Pow
Partition coefficient:
-0.039
Temp.:
22 °C
pH:
12
Details on results:
Preliminary test
The log Pow was calculated to be -1.12.

Main test
The mean Pow was determined to be 0.916 at a pH of 12.0 and a temperature of 22.0°C. This corresponds to a log Pow value of -3.86 E-2. The results of the individual experiments are shown in the table underneath.

 Sample number Organic/aqueous volume ratio   Partition coefficient  Mean partition coefficient
 1  2:1  0.914  0.897
 2  2:1  0.880  
 3  1:1  0.890  0.894
 4  1:1  0.897  
 5  1:2  0.988  0.957
 6  1:2  0.925  

The recovery was between 101% and 108% and the Pow standard deviation 0.0392.

Conclusions:
The shake flask method at pH 12 was applied for the determination of the partition coefficient (Pow) of the test item.
The Pow value of the test item at pH 12 and 22.0 ± 0.5 °C, was 0.916. This corresponds to a log Pow value of -3.86 E-2.

Description of key information

Based on a guideline study according to OECD 107 and EU Method A.8 (Harlan, 2015), the shake flask method at pH 12 was applied for the determination of the partition coefficient (Pow) of the test item.

The Pow value of the test item at pH 12 and 22.0 ± 0.5 °C, was 0.916. This corresponds to a log Pow value of -3.86 E-2.

Key value for chemical safety assessment

Log Kow (Log Pow):
-0.039
at the temperature of:
22 °C

Additional information

The logPow value is determined at pH 12.