Registration Dossier
Registration Dossier
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EC number: 500-236-9 | CAS number: 68920-66-1 1 - 2.5 moles ethoxylated
Endpoint summary
Administrative data
Description of key information
Additional information
A Koc-value was determined in a study conducted by Frischmann (Cognis, 2010) according to OECD 121 under GLP-conditions. In that study a log Koc of 4.5 could be determined resulting in a Koc-value of 31623 L/kg. The experimental determined value is in line with the data calculated by using a QSAR-model (KOCWIN (v. 2.00) of U.S. EPA). As determination of a mixture Koc-value was impossible with the model, Koc-values for the pure homologues contained in the mixture were calculated via input of Smiles-codes. Koc-values were thus calculated for unethoxylated alcohols and alcohol ethoxylates containing 2EO (C16 and C18) as well as unsaturated alcohol C18 and unsaturated alcohol ethoxylate C18 EO2. The Koc-values by using the QSAR-model ranged between 5706 kg/L (C16 EO2) and 60790 kg/L (for 1 -octanol).
Additionally the Koc was determined according to another specific QSAR method, developed for alcohol ethoxylates from measured sorption data by van Compernolle et al. (2006). The work by these authors has investigated the adsorption of several radio-labelled specific alcohol ethoxylate homologues onto activated sludge and river water solids. These results, together with results from validated published and unpublished work, were used to derive a Koc based sorption QSAR. It can be expected that the work carried out by van Compernolle et al. (2006) describes the adsorption properties of alcohol ethoxylates more specific than the EPIWIN model. In case of alcohol ethoxylate (C16 -18 and C18 unsatd., < 2.5 EO) the log Koc values estimated according to the method of van Compernolle et al. (2006) ranged from 5.0 to 5.7. Based on the composition of the mixture the weighted average of the log Koc values was calculated to be 5.46 L/kg.
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