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Environmental fate & pathways

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Adsorption was determined by using QSAR-model (KOCWIN (v 2.00) of U.S. EPA). As the determination of a mixture Koc-value was impossible, Koc-values for the pure homologues contained in the mixture were calculated. Therefore Smiles-codes of the unethoxylated alcohols as well as the alcohol ethoxylates containing 2EO of each of the homologues contained in the mixture were entered in EPIWIN. The resulting worst-case Koc-value was used in the EPM for the determination of PNECsediment.

In case of alcohol C12 -14 ethoxylates, worst-case Koc could be determined for 1 -pentadecanol with Koc = 9230 L/kg. This value is used in the EPM for the determination of PNECsediment.