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Physical & Chemical properties

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
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
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:
2.3
Temp.:
25 °C
pH:
7.2
Details on results:
In order to ensure a stable performance of the HPLC column, the column temperature was set to 40 °C. The reference Pow-values in the OECD guideline presumably refer to 25 °C. Even though the column temperature was 40 °C, this temperature has no influence on the result of the determination. Therefore the Pow-value of the test item determined within this study also refers to 25 °C.

It was assumed that the detected signal represents the three isomers of the test item, which cannot be separated by the used HPLC method.

The pKa value of the main component of the test item was calculated with the software ACD/Percepta 14.0.0. The structure of the test item contains no ionisable groups. Therefore no pKa value can be calculated and the test substance exists in non-ionic form over the whole pH-range.

Conclusions:
The partition coefficient (log Pow) of 2.3 was determined at 25 °C and approx. pH 7.
Executive summary:

The partition coefficient of test substance was determined by the HPLC-method according to OECD TG 117. According to the results of the material balance the test substance was described as a mixture of three isomers. It was assumed that the detected signal represents the three isomers of the test substance, which cannot be separated by the used HPLC method. The test item has no ionisable functional groups and exists in non-ionic form over the whole pH-range.

The partition coefficient (log Pow) of 2.3 is determined at 25 °C and approx. pH 7.

In order to ensure a stable performance of the HPLC column, the column temperature was set to 40 °C. The reference Pow-values in the OECD guideline presumably refer to 25 °C. Even though the column temperature was 40 °C, this temperature has no influence on the result of the determination. Therefore the Pow-value of the test item determined within this study also refers to 25 °C.

Description of key information

The partition coefficient of the test substance was determined by the HPLC-method according to OECD TG 117. The partition coefficient (log Pow) of 2.3 is determined at 25 °C and approx. pH 7.

Key value for chemical safety assessment

Log Kow (Log Pow):
2.3
at the temperature of:
25 °C

Additional information

In order to ensure a stable performance of the HPLC column, the column temperature was set to 40 °C. The reference Pow-values in the OECD guideline presumably refer to 25 °C. Even though the column temperature was 40 °C, this temperature has no influence on the result of the determination. Therefore the Pow-value of the test item determined within this study also refers to 25 °C.