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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:
2017-01-30
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)
Version / remarks:
1995
Deviations:
no
Qualifier:
according to guideline
Guideline:
EPA OPPTS 830.7550 (Partition Coefficient, n-octanol / H2O, Shake Flask Method)
Version / remarks:
August 1996
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
flask method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
2.16
Temp.:
20 °C
pH:
5.6
Remarks on result:
other: Average of 6 measurements, for details "see any other information"

The log Pow was calculated from the absolute amount of test item in each phase:

Test nr. Replicate absolute amount of test item (mg) Pow log Pow
n-octanol phase aqueous phase
1 1 26.075 0.179 145.50 2.16
2 25.067 0.183 136.90 2.14
2 1 16.963 0.211 160.87 2.21
2 16.514 0.209 158.29 2.20
3 1 33.507 0.125 134.31 2.13
2 33.537 0.121 139.07 2.14
Mean 145.82 2.16
Std deviation 11.31

The pH before the test item was added was 5.9. After the test, the pH was on average 5.6.

VALIDITY CRITERIA

- Linearity: regression coefficient of calibration curve was 1.0000

- Specificity: no interferences above 5% of the total area for target analyte observed

- Accuracy: mean recovery value of samples fortified with the analyte was found to be 104% (101% in the n-octanol phase and 107% in the aqueous phase)

- Precision: relative standard deviation of repeated analysis of 5 independent fortification samples was < 6%

- Repeatability of injection: one standard solution was injected 5 times. The relative standard deviation was 1.0%

Conclusions:
The test item has a log Pow value of 2.16.
Executive summary:

The partition coefficient of the test item was assessed according OECD 107, flask method. In total 6 measurements were performed, i.e. 2 replicates per volume ratio variation (1:1, 2:1 and 1:2 test item: water pre-saturated with n-octanol). The test item concentration was determined in the n-octanol and the aqueous phase. The log Pow was calculated for each run. The average log Pow was found to be 2.16 at 20°C. The difference between the 3 different volume ratio variations was less than +/- 0.3 log units, therefore, the study can be considered valid.

Description of key information

For this endpoint, the partition coefficient was determined experimentally. The test was conducted according to OECD 107, shake flask method. The test item was found to have a log Pow of 2.16 at 20°C and pH 5.6.

Key value for chemical safety assessment

Log Kow (Log Pow):
2.16
at the temperature of:
20 °C

Additional information