Registration Dossier
Registration Dossier
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EC number: 246-665-2 | CAS number: 25151-96-6
Adsorption / desorption
Administrative data
Link to relevant study record(s)
Description of key information
log Koc: > 5 (KOCWIN v2.00)
Key value for chemical safety assessment
Additional information
No studies investigating the adsorption/desorption behaviour of2,2-bis(hydroxymethyl)-1,3-propanediyl dioleate (CAS 25151-96-6)are available. Using KOCWIN Program (v2.00), log Koc values of 8.01 - 12.98 and 7.38 - 13.59 were calculated, based based on log Kow and on molecular connectivity index (MCI), respectively (Hopp, 2011). These models have no universally accepted definition of 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 may not be fully reliable, but confirmed the high adsorption potential determined in the experimental study. The potential for adsorption is also to be expected based on the high Kow (14.5). Additionally, log Koc values were calculated for the substances 2,2-bis(hydroxymethyl)propane-1,3-diyl (6E,6'E)bis-undec-6-enoate (diester) and 3-hydroxy-2,2-bis{[(4E)-oct-4-enoyloxy]methyl}propyl (4E)-oct-4-enoate (non-preferred name) (triester) which have the same structure as the target substance, except for the shorter fatty acid chains. Both substances fit in the domain of the training set (log Kow 7.65 and 8.04, respectively), and the resulting log Koc values 4.2 and 4.8 (based on Koc), respectively, and 3.7 and 5.8 (based on MCI), respectively, are reliable. The adsorption potential for2,2-bis(hydroxymethyl)-1,3-propanediyl dioleate (CAS 25151-96-6)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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