Registration Dossier
Registration Dossier
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 812-653-6 | CAS number: 68441-94-1
Adsorption / desorption
Administrative data
Link to relevant study record(s)
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.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
