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Physical & Chemical properties

Partition coefficient

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Administrative data

Link to relevant study record(s)

Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
from 2014-10-24 to 2017-12-17
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient - HPLC Method)
Deviations:
no
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
1.54 - 2.64
Temp.:
22.8 °C
pH:
7
Remarks on result:
other: range for isomers

Validity Criteria

- A signal-to-noise ratio > 3 was provided for NaNO3, reference items and the test item.

- The value of log Pow derived from repeated measurements made under identical conditions and using the same set of reference items fell within a range of ± 0.1 log units.

- The correlation coefficient r for the calibration curves was > 0.9.

- The column temperature during the measurement was kept in the range of 20 - 25 ± 1 °C and did not vary more than ± 1 °C.

Conclusions:
The the partition coefficients n-octanol/waterrange from 1.54 to 2.64.
Executive summary:

A study was conducted in accordance with OECD TG 117 and Regulation (EC) No 440/2008 method A.8 to determine the partition coefficient of the test substance using the HPLC method. A solution of the test substance was prepared in the mobile phase - 50 mg/L. After equilibration of the HPLC system, the calibration mixture was injected first, followed by the test chemical solution twice, and the calibration mixture again. Retention times tR were measured and averaged and the decimal logarithms of the capacity factors k were calculated. The linear regression parameters of the relationship log Pow = f(log k) were also calculated from the data obtained with the calibration mixture and, therewith, log Pow of the test substance was determined from its measured capacity factor. The partition coefficients n-octanol/water range from 1.54 to 2.64.

Description of key information

The partition coefficients n-octanol/water range from 1.54 to 2.64.

Key value for chemical safety assessment

Log Kow (Log Pow):
2.64
at the temperature of:
22.8 °C

Additional information

A study was conducted in accordance with OECD TG 117 and Regulation (EC) No 440/2008 method A.8 to determine the partition coefficient of the test substance using the HPLC method. A solution of the test substance was prepared in the mobile phase - 50 mg/L. After equilibration of the HPLC system, the calibration mixture was injected first, followed by the test chemical solution twice, and the calibration mixture again. Retention times tR were measured and averaged and the decimal logarithms of the capacity factors k were calculated. The linear regression parameters of the relationship log Pow = f(log k) were also calculated from the data obtained with the calibration mixture and, therewith, log Pow of the test substance was determined from its measured capacity factor. The partition coefficients n-octanol/water range from 1.54 to 2.64.