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EC number: 700-661-1 | CAS number: -
Partition coefficient
Administrative data
Link to relevant study record(s)
Description of key information
The partition coefficient was determined according to EU Method A.8, resulting in a log Pow for the main components of PSOA (Peroxy sulfonated oleic acids) of <= 3.78.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 3.78
- at the temperature of:
- 25 °C
Additional information
The partition coefficient Pow of the test item was determined based on a calibration curve using nine reference items. The log Pow value was calculated, using the measured regression coefficients and the capacity factor of the test item. Components of PSOA (Peroxy sulfonated oleic acids) eluted in a wide range, from 2.14 minutes until 19 minutes.
Based on this experiment considering both, the last eluting peak having a peak area > 5 area% (ret. time: 2.14 minutes) and the last eluting peak of PSOA (Peroxy sulfonated oleic acids) (ret. time: 19 minutes) the determined log Pow of the components of PSOA are < 1.6 and <= 5.04, respectively.
Using the EPI Suite software (KOWWIN Program (v1.68)) the log Pow values (n-octanol/water) of two lead components of PSOA (10-hydroxy-9-sulfooctadecaneperoxoic acid and 10-hydroxy-9-sulfooctadecanoic acid) have been calculated. The following results have been obtained:
10-hydroxy-9-sulfooctadecaneperoxoic acid: Pow = 91.2011; log Pow = 1.96
10-hydroxy-9-sulfooctadecanoic acid: Pow = 1318.26; log Pow = 3.12
From the chromatogram of PSOA it is obvious that a great majority of components of PSOA elute in the range 2.14 – 9.8 minutes corresponding to log Pow values in the range of <= 3.78. Thus calculating the (theoretical) retention times from the theoretical log Pow values of the two above-mentioned components of PSOA using the reported calibration curve both components are expected to elute at 4.8 and 7.3 minutes, respectively. This calculation confirms that the log Pow of the main components of this UVCB substance are in the range of <= 3.78.
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