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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:
2016-01-26
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)
Version / remarks:
2004
Deviations:
yes
Remarks:
Due to technical reasons, standards were injected separately instead of simultaneously.
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient)
Version / remarks:
2008
Deviations:
yes
Remarks:
Due to technical reasons, standards were injected separately instead of simultaneously.
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:
4
Temp.:
23.7 °C
Remarks on result:
other: No pH value was measured for this mobile phase, because it is neutral. Furthermore the test item did not have functional groups with influence on the pH value of the mobile phase.

Test substance

tR [min]

k

Log k

Log Pow

1st calibration

2nd calibration

9.153

15.3

1.18

4.00 ± 0.05

3.89 to 4.12 (95 % Cl)

4.00 ± 0.05

3.88 to 4.12 (95 % Cl)

9.158

15.3

1.18

Mean

9.156

15.3

1.18

4.00

Conclusions:
The partition coefficient log Pow of the test substance was determined to be log Pow = 4.00 at 23.7 °C.
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 partition coefficient Pow was determined in two individual measurements. Two individual log Pow values for the test item were derived under consideration of the first and second calibration. Finally, a mean value was calculated from these individual log Pow values. The partition coefficient log Pow of the test substance was determined to be log Pow = 4.00 at 23.7 °C. All validation criteria were fulfilled. 

Description of key information

The partition coefficient log Pow of the test substance was determined to be log Pow = 4.00 at 23.7 °C.

 

Key value for chemical safety assessment

Log Kow (Log Pow):
4
at the temperature of:
23.7 °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 partition coefficient Pow was determined in two individual measurements with a test concentration of 50 mg/L. The measurement was done at 20-25 ± 1 °C. A mean value was calculated from the individual log Pow values. The partition coefficient log Pow of the test substance was determined to be log Pow = 4.00 at 23.7 °C.