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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:
2013
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:
3.6
Temp.:
23 °C
pH:
7
Type:
log Pow
Partition coefficient:
1.6
Temp.:
23 °C
pH:
2.1
Type:
log Pow
Partition coefficient:
3.6
Temp.:
23 °C
pH:
6.5
Type:
log Pow
Partition coefficient:
3.5
Temp.:
23 °C
pH:
10

During the measurements for the determination of the log Pow additional peaks were detected with differing peak areas depending on the pH and the storage time of the respective test solution. These peaks can be interpreted as different protonated/deprotonated forms of the test item. Thus, four tests for measuring the log Pow of the test item were performed using an eluent at pH 2.1, pH 6.5, pH 7.0 and pH 10

Conclusions:
Log Pow= 3.6 at 23 °C at pH 7
Executive summary:

During the measurements for the determination of the log Pow additional peaks were detected with differing peak areas depending on the pH and the storage time of the respective test solution. These peaks can be interpreted as different protonated/deprotonated forms of the test item. Thus, four tests for measuring the log Pow of the test item were performed using an eluent at pH 2.1, pH 6.5, pH 7.0 and pH 10

Description of key information

log Pow= 1.6 at 23 °C at pH 2.1

log Pow= 3.6 at 23 °C at pH 6.5

log Pow= 3.6 at 23 °C at pH 7
log Pow= 3.5 at 23 °C at pH 10

Key value for chemical safety assessment

Log Kow (Log Pow):
3.6
at the temperature of:
23 °C

Additional information

The determination was performed by the HPLC method.

During the measurements for the determination of the log Pow, additional peaks were detected with differing peak areas depending on the pH and the storage time of the respective test solution. These peaks can be interpreted as different protonated/deprotonated forms of the test item. Thus, four tests for measuring the log Pow of the test item were performed using an eluent at pH 2.1, pH 6.5, pH 7.0 and pH 10.

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