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Environmental fate & pathways

Adsorption / desorption

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Description of key information

logKoc: > 5 (KOCWIN v2.00)

Key value for chemical safety assessment

Additional information

No experimental studies investigating the adsorption/desorption potential of fatty acids, C14-18 and C16-18-unsatd., esters with propylene glycol (CAS 84988-75-0) are available. As the substance is composed of different homologues, the Koc values were calculated for the representative components using KOCWIN v2.00 based on the Molecular Connectivity Index (MCI) (Müller, 2011).

This model has no universally accepted definition of model domain, but since the substance is outside the 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 Kow (> 10) and low water solubility (< 0.15 mg/L). Additionally, log Koc was calculated for the substance decanoic acid, mixed diesters with octanoic acid and propylene glycol (CAS 68583-51-7), which has the same structure as of fatty acids, C14-18 and C16-18-unsatd., esters with propylene glycol, except for the shorter fatty acid chain (water solubility: < 0.05 mg/L; log Kow: 5.21). Decanoic acid, mixed diesters with octanoic acid and propylene glycol fits in the domain of the training set, and the resulting Koc values 4.51 - 5.60 (based on Kow) and 3.79 - 4.82 (MCI) are reliable. The adsorption potential for fatty acids, C14-18 and C16-18-unsatd., esters with propylene glycol is 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 fatty acids, C14-18 and C16-18-unsatd., esters with propylene glycol is high.