Registration Dossier
Registration Dossier
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EC number: 298-364-0 | CAS number: 93803-89-5
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 are available investigating the adsorption/desorption properties of 2,2-bis[[(1-oxoisononyl)oxy]methyl]-1,3-propanediyl diisononanoate (CAS 93803-89-5). Using KOCWIN v2.00, log Koc values of 9.46 (MCI method) and 8.46 (log Kow method) were calculated (Hopp, 2011). This model has 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 indicate a high adsorption potential, which is also to be expected based on the high Kow (> 5) and low water solubility (< 0.05 mg/L). Additionally, the log Koc was calculated for the read-across substance 2,2-bis[[(1-oxoisononyl)oxy]methyl]-1,3-propanediyl diisononanoatewhich has the same structure as PE tetraester with isononanoic acid, except for the shorter fatty acid chain (water solubility 3.34E-03 mg/L; log Kow 6.45). Pentaerythritol tetraester with 2-methylbutanoic acid fits in the domain of the training set, and the resulting Koc values 4.36 (based on Kow) and 6.1 (MCI) are reliable. The adsorption potential for the2,2-bis[[(1-oxoisononyl)oxy]methyl]-1,3-propanediyl diisononanoateis expected to be higher, due to the length of the fatty acid chain. Based on this information, it can be assumed that the adsorption potential of 2,2-bis[[(1-oxoisononyl)oxy]methyl]-1,3-propanediyl diisononanoateis high.
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