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Environmental fate & pathways

Adsorption / desorption

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Description of key information

log Koc: > 8 (KOCWIN v2.00)

Key value for chemical safety assessment

Additional information

No studies investigating the adsorption/desorption behaviour of DiPE triisononanoate triethylhexanoate (CAS No. 68443-84-5) are available. Using the KOCWIN Program (v2.00), log Koc values in the range of 15.07 to 15.16 were calculated for its main components based on the molecular connectivity index (MCI; Hopp, 2011). This model has no universally accepted definition of its model domain, but since the main components are outside the Kow range of the training set, the results should be taken with caution. The definite values for the main components may not be fully reliable, but indicate a high adsorption potential of the UVCB substance, which is also to be expected based on the low measured water solubility of the UVCB substance (< 0.05 mg/L). Additionally, the log Koc value was calculated for a structurally related substance (Fatty acid, C4, hexaester with dipentaerythritol) that is characterized by a smaller fatty acid constituent and is within the training set. The result, which in this case is fully reliable, indicates a high potential for adsorption (log Koc 8.83, MCI) for the structurally related smaller substance. The adsorption potential of DiPE triisononanoate triethylhexanoate (CAS No. 68443-84-5) is expected to be higher, due to the longer hydrocarbon chain length which increases the lipophilicity of the substance. Based on this information, it can be assumed that the adsorption potential of DiPE triisononanoate triethylhexanoate (CAS No. 68443-84-5) is high.