Registration Dossier
Registration Dossier
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EC number: 266-124-4 | CAS number: 66085-00-5
Partition coefficient
Administrative data
Link to relevant study record(s)
Description of key information
log Pow > 6.54 (KOWWIN v1.68)
Key value for chemical safety assessment
Additional information
The composition of the substance includes the mono- di- and tri-glyceride of isostearate. For each of these forms, the iso-branching may be present as a methyl-, ethyl or propyl-branching, although the branching is always simple. For the calculation of the partition coefficient only the methyl branching was considered due to the fact that calculation with QSAR (KOWWIN v1.68) revealed very similar or equal results for several branching types. The partition coefficient was deduced to be log pow > 6.54, since this was the lowest value for the three considered components and the di- and triester component are long chain fatty acid ester which exceeds the applicability domain of KOWWIN and the value for log Pow is reported with restrictions for which the partition coefficient are deduced to be > 10.
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