Registration Dossier
Registration Dossier
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EC number: 701-264-6 | CAS number: -
Adsorption / desorption
Administrative data
Link to relevant study record(s)
Description of key information
log Koc 4.2 - > 5 (KOCWIN v2.00)
Key value for chemical safety assessment
Additional information
No studies investigating the adsorption/desorption behaviour of Fatty acids, C8-10 (even numbered) and C16 and C18-unsatd., esters with Neopentylglycol (CAS No. former 85186-86-3) are available. Using KOCWIN Program (v2.00), log Koc values from 4.2 to 9.4 were calculated for the main constituents, based on molecular connectivity index (MCI) (Kampara, 2013). This model has no universally accepted definition of model domain, but since the larger constituents (C12 and C18 fatty acid esters) are 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 (>10) and low water solubility (<0.5 mg/L). Additionally, the C8 and C10 fatty acid constituents, which are within the Kow range of the model and are thus fully reliable, already have a high adsorption potential, based on the calculation. It can be expected that the adsorption potential of the C18 fatty acid constituent is even higher, due to the longer fatty acid chains.
In conclusion, Fatty acids, C8-10 (even numbered) and C16 and C18-unsatd., esters with Neopentylglycol is expected to have high adsorption potential.
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