Registration Dossier
Registration Dossier
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EC number: 942-086-0 | CAS number: -
Partition coefficient
Administrative data
Link to relevant study record(s)
Description of key information
log Kow (constituents of the substance): >7.2 at 35°C and pH 7.3 (read-across)
log Kow (constituents): 6.58 - >9.0 at 20°C (QSAR)
Key value for chemical safety assessment
Additional information
There are no reliable measured n-octanol/water partition coefficient data for the registration substance. However, reliable data are available for related substances in the relevant carbon number range.
In OECD 117 studies using the HPLC method, which were conducted in compliance with GLP, Hydrocarbons, C15-C19, n-alkanes, isoalkanes, <2% aromatics (GS270) and Hydrocarbons, C18-C24, isoalkanes, <2% aromatics (GS310) had measured Kow value of >1.58 x 107 (log10Kow >7.2) at 35°C and pH 7.3. The results are considered to be reliable and are used as weight of evidence.
The measured log Kow study is supported by predicted log Kow for individual constituents of the submission substance. The log Kow of each constituent has been predicted using a separately validated QSAR estimation method. The prediction method uses a fragment method and log Kow increases with increasing carbon number. The prediction domain covers carbon chain length in the range C1-C18 carbon atom, it is therefore expected that log Kow for longer chain length (i.e. greater than C18) compounds will be greater than the predicted value of 9.18. The individual constituents of the substance have predicted log Kow values in the range 6.58 - >9 at 20°C.
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