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EC number: 500-204-4
CAS number: 68334-05-4
Log Koc > 5 (based on Molecular Connectivity Index (MCI); KOCWIN v2.00)
No studies investigating the adsorption/desorption behaviour of Fatty
acids, C18-unsatd., dimers, 2-ethylhexylesters (CAS No. 68334-05-4) are
available. Using KOCWIN Program (v2.00), log Koc values in the range of
9.9 to 10.2 were calculated based on log Kow and the molecular
connectivity index, respectively (Erler, 2013). This model has no
universally accepted definition of its model domain, but since the
substance is outside the Kow range of the training set, the results
should be taken with caution. The definite values for the substance may
not be fully reliable, but indicate a high adsorption potential, which
is also to be expected based on the high calculated log Kow value (log
Kow > 10, KOWWIN v1.68) and the low measured water solubility of the
substance (< 1 mg/L).
Additionally, a log Koc value was calculated for substance Fatty acid,
C11, dimer, ester with trimethylolpropane (Hopp, 2012) which has the
same structure as the target substance, except for the shorter fatty
acid chains. The substance fits in the domain of the training set of the
MCI method, and the resulting log Koc value 3.57 (based on MCI) is
reliable. The adsorption potential for of Fatty acids, C18-unsatd.,
dimers, 2-ethylhexylesters is expected to be higher, due to the length
of the fatty acid chain. Based on this information, the adsorption
potential of the target substance is assumed to be high.
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