Registration Dossier
Registration Dossier
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EC number: 275-019-2 | CAS number: 70913-98-3
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
Studies investigating the adsorption/desorption potential of Fatty acids, tall oil, esters with dipentaerythritol (CAS 70913-98-3) are currently not available. Calculated values of log Koc of 27.6 and 30.7 indicate a high adsorption potential of the substance (Kuckuck, 2013). The calculation for the main components was based on molecular connectivity index (MCI). The model has no universally accepted definition of model domain, but since the log Kow of the substance is outside the log Kow range of the training set for both models, the results should be taken with caution. Though the calculated values my not be fully reliable a high adsorption potential is assumed. In addition, log Koc was calculated for the substance 3-(butanoyloxy)-2-({3-(butanoyloxy)-2,2-bis[(butanoyloxy)methyl]propoxy}methyl)-2-[(butanoyloxy)methyl]propyl butanoate. This substance has the same structure as the C16 FA component and C18 FA component of Fatty acids, tall oil, esters with dipentaerythritol (CAS 70913-98-3), except for the shorter fatty acid chain (water solubility < 0.001 mg/L; log Kow 6.91). Moreover, 3-(butanoyloxy)-2-({3-(butanoyloxy)-2,2-bis[(butanoyloxy)methyl]propoxy}methyl)-2-[(butanoyloxy)methyl]propyl butanoate fits in the domain of the training set, and the resulting log Koc value of 8.83 (MCI) is reliable. Due to the length of the fatty acid chains, the adsorption potential for Fatty acids, tall oil, esters with dipentaerythritol (CAS 70913-98-3) is expected to be higher.
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