Registration Dossier
Registration Dossier
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EC number: 932-121-8 | CAS number: 1147459-12-8
Partition coefficient
Administrative data
Link to relevant study record(s)
Description of key information
The log Kow value was calculated from the ratio of the octanol solubility and water solubility (CMC).
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 4.3
- at the temperature of:
- 20 °C
Additional information
A log Kow value of 4.2 (20°C) was calculated from the ratio of the octanol and water solubility. The water solubility used in this ratio is not the real water solubility but the Critical Micelle Concentration (CMC) as the substance is a surface active substance.
The log Kow value was also calculated from the structure using a QSAR, Kowwin ver 1.68 (US EPA). The substance has a pKa of 8.5 which means that under neutral conditions >95% will be protonated. The log Kow value was therefore calculated for the protonated species of each of the constituents.
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