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Environmental fate & pathways

Adsorption / desorption

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Description of key information

log Koc: 4.52 - 8.34 (KOCWIN v2.00)

Key value for chemical safety assessment

Additional information

No studies are available for reaction mass of Heptanoic acid 3-pentanoyloxy-2,2-bis-pentanoyloxymethyl-propyl ester, Heptanoic acid 2-heptanoyloxymethyl-3-pentanoyloxy-2-pentanoyloxymethyl-propyl ester and Heptanoic acid 3-heptanoyloxy-2-heptanoyloxymethyl-2-pentanoyloxymethyl-propyl ester (CAS-No. 68441-94-1) on adsorption/desorption. Using KOCWIN v2.00 with smiles notation, log Koc values of 4.52 - 6.7 (estimate from log Kow) as well as 6.25 – 8.34 (estimate with MCI method) was calculated, indicating a high adsorption potential of the test substance. This result is supported by a read-across, on Ester reaction products of fatty acid, C5-10, pentaerythritol and dipentaerythritol, where a log Koc of 4 - 7 was established in a guideline study according to OECD 121 under GLP conditions.