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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:
2015-10-14
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to
Guideline:
EU Method A.8 (Partition Coefficient)
Version / remarks:
2008
Deviations:
no
Qualifier:
according to
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Version / remarks:
(2004)
Deviations:
no
GLP compliance:
yes (incl. certificate)
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
3.43
Temp.:
23.7 °C
pH:
7
Remarks on result:
other: Weighted Mean
Type:
log Pow
Partition coefficient:
2.7
Temp.:
23.7 °C
pH:
7
Remarks on result:
other: C12-Component
Type:
log Pow
Partition coefficient:
3.98
Temp.:
23.7 °C
pH:
7
Remarks on result:
other: C14-Component
Type:
log Pow
Partition coefficient:
5.27
Temp.:
23.7 °C
pH:
7
Remarks on result:
other: C16-Component
Type:
log Pow
Partition coefficient:
5.52
Temp.:
23.7 °C
pH:
7
Remarks on result:
other: C18.1-Component
Type:
log Pow
Partition coefficient:
6.55
Temp.:
23.7 °C
pH:
7
Remarks on result:
other: C18-Component
Details on results:
A weighted average mean value of 3.43 was calculated based on the respective peak area percentages.

Component

Peak Area [%]

C12

62.78

C14

19.62

C16

7.90

C18.1

8.86

C18

0.84

Validity Criteria were fulfilled:

- A signal-to-noise ratio > 3 was provided for signals of concern.

- 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 did not vary more than ± 1 °C.

Conclusions:
The weighted average mean partition coefficient log Pow for Amphopropionates C12-18 was determined to be 3.43 at 23.7 °C and pH 7.
Executive summary:

The partition coefficient (n-octanol/water) of Amphopropionates C12-18 was determined according to EU method A.8 (1995) and OECD Guideline 117 (2004) by the HPLC method. The test was performed with a concentration of 3750 mg/L Amphopropionates C12-18 in 75 % methanol : 25 % buffer solution at pH 7 (phosphate, 50 mM).

The individual log Pow values for each of the test item components were 2.7 (C12), 3.98 (C14), 5.27 (C16), 5.52 (C18.1), 6.55 (C18) at a mean temperature of 23.7°C. A weighted average mean value of 3.43 was calculated based on the respective peak area percentages.

Description of key information

3.43 at 23.7°C (OECD TG 117 / EU method A.8; RL1; GLP)

Key value for chemical safety assessment

Log Kow (Log Pow):
3.43
at the temperature of:
23.7 °C

Additional information

The partition coefficient (n-octanol/water) of Amphopropionates C12-18 was determined according to EU method A.8 (1995) and OECD Guideline 117 (2004) by the HPLC method. The test was performed with a concentration of 3750 mg/L Amphopropionates C12-18 in 75 % methanol : 25 % buffer solution at pH 7 (phosphate, 50 mM).

The individual log Pow values for each of the test item components were 2.7 (C12), 3.98 (C14), 5.27 (C16), 5.52 (C18.1), 6.55 (C18) at a mean temperature of 23.7°C. A weighted average mean value of 3.43 was calculated based on the respective peak area percentages.