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Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Reference:
Composition 0
Qualifier:
according to
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
GLP compliance:
yes (incl. certificate)
Type of method:
flask method
Partition coefficient type:
octanol-water
Test material information:
Composition 1
Specific details on test material used for the study:
- Physical Appearance: Almost colourless to yellow-brown liquid
- Date of Expiry: 01-08-2018
- Storage Condition: Ambient (21 to 29°C)
Analytical method:
gas chromatography
Key result
Type:
log Pow
Partition coefficient:
2.3
Temp.:
23.2 °C
pH:
>= 6.69 - <= 6.82
Details on results:
- Specificity/Selectivity: Specificity meets the acceptance criterion as the interference obtained for pre-saturated n-Octanol, pre-saturated Milli-Q water, and Diluent was 8.11, 8.24, and 0.71, respectively, which is < 30% of the standard response at LOQ.
- Limit of Detection (LOD) and Limit of Quantification (LOQ): The LOD was considered at 10.29 mg/L. The LOQ was considered at 25.72 mg/L, where pre-saturated n-octanol blank and pre-saturated Milli-Q water were used to determine the noise.
- Linearity meets the acceptance criterion as the correlation coefficient obtained was 0.998 which is ≥ 0.99.
- Accuracy (% Recovery) and Precision (% RSD): Recovery meets the acceptance criterion as the % recovery obtained in pre-saturated n-octanol was 109.84% for LOQ and 105.28% for 10 LOQ which is in the range 70% to 110 % of the nominal concentration. Recovery meets the acceptance criterion as the % recovery obtained in pre-saturated Milli-Q water was 109.08% for LOQ and 93.47% for 10 LOQ which is in the range 70% to 110 % of the nominal concentration. Precision meets the acceptance criterion as the % RSD obtained in pre-saturated n-octanol was 1.41% for LOQ and 4.13% for 10 LOQ which is ≤ 20%.
- Precision meets the acceptance criterion as the % RSD obtained in pre-saturated Milli-Q water was 0.36% for LOQ and 1.90% for 10 LOQ which is ≤ 20%.
- Determination of Partition Coefficient: The ratio of n-Octanol: Milli-Q water used in the study was 1:1, 1:2 and 2:1 resulting in log partition coefficients (log Pow) values of 2.30, 2.60, and 1.98 respectively. The mean log partition coefficient (log Pow) of the test item was 2.30 at 23.2°C.

Description of key information

The log Pow value of the test item is 2.30.

Key value for chemical safety assessment

Log Kow (Log Pow):
2.3
at the temperature of:
23.2 °C

Additional information