Registration Dossier
Registration Dossier
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EC number: 255-713-1 | CAS number: 42222-50-4
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 of 2,2-dimethyl-1,3-propanediyl dioleate (CAS No. 42222-50-4) are available. Using KOCWIN Program (v2.00), log Koc values of 9.4 and 10.2 were calculated, based on molecular connectivity index (MCI) and on log Kow, respectively. These models have no universally accepted definition of model domain, but since the substance is outside the Kow range of the training set for both models, 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 Kow (>10) and low water solubility (<0.05 mg/L). Additionally, the log Koc was calculated for a similar category member, the C8 fatty acid constituent of decanoic acid, mixed esters with neopentyl glycol and octanoic acid (CAS No. 70693-32-2).This substancehas the same structure as 2,2-dimethyl-1,3-propanediyl dioleate, except for the shorter fatty acid chains (water solubility 0.09 mg/L; log Kow 7.7). It fits in the domain of the training set, and the resulting Koc values 5.0 (based on Kow) and 4.2 (MCI) are reliable. The adsorption potential for 2,2-dimethyl-1,3-propanediyl dioleate is expected to be higher, due to the length of the fatty acid chains. Based on this information, it can be assumed that the adsorption potential of the 2,2-dimethyl-1,3-propanediyl dioleate is high.
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