Registration Dossier
Registration Dossier
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EC number: 286-056-9 | CAS number: 85186-72-7
Adsorption / desorption
Administrative data
Link to relevant study record(s)
Description of key information
log Koc: 3.25 - > 5 (KOCWIN v2.00)
Key value for chemical safety assessment
Additional information
No experimental studies investigating the adsorption/desorption
potential of Fatty acids, C16-18 (even numbered) and C18-unsatd.,
branched and linear, tri- and tetraesters with pentaerythritol are
available. Therefore, the log Koc values were calculated using KOCWIN
v2.00 based on the Molecular Connectivity Index (MCI). The model has no
universally accepted definition of the model domain, but since four
components of the substance are outside the log Kow range of the
training set of the MCI model, the results should be taken with caution.
The definite values may not be fully reliable, but indicate a high
adsorption potential, which is also to be expected based on the high log
Kow (6.11 - > 10). However, the smallest component (C16 monoester) is
within the applicability domain of the model and the result is
considered to be reliable to be used for risk assessment.
Estimations based on the MCI method resulted in log Koc values of 3.25 -
19.81. The model indicates a high potential for adsorption of Fatty
acids, C16-18 (even numbered) and C18-unsatd., branched and linear, tri-
and tetraesters with pentaerythritol.
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