Registration Dossier
Registration Dossier
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EC number: 931-330-1 | CAS number: 69227-24-3
Endpoint summary
Administrative data
Description of key information
Adsorption / desorption
The average Koc value of 1469 was retained for risk assessment purposes.Additional information
Adsorption / desorption
The soil adsorption and desorption potential (Koc) of the test substance, C8-18 and C18-unsatd. MEA, was estimated using the Molecular Connectivity Index (MCI) and Log Kow methods of the KOCWIN v 2.01 program (EPISuite v 4.11). Since the test substance is an UVCB, the Koc values were estimated for individual constituents using SMILES codes as the input parameter. Using the MCI and log Kow methods, the predicted Koc values for all the constituents were estimated to range from 21.37 to 8636 L/kg and 15.71 to 8165 L/kg respectively. The corresponding log Koc values ranged from 1.32 to 3.93 and 1.19 to 3.91 (US EPA, 2019). This indicates a negligible to moderate adsorption potential (US EPA, 2012). Since not all constituents meet the MW and structural fragment molecular descriptor domain criteria as defined in KOCWIN v 2.01 user guide of EPI Suite TM, the Koc predictions were considered to be less accurate. Given that the constituents are structurally very similar and vary only in the carbon chain length, a weighted average value, which considers the percentage of each constituent in the substance, was calculated to dampen the errors in predictions. The weighted average Koc (log Koc) values were calculated as1625.52 L/kg (log Koc=3.21) and 1312.66 L/kg (log koc= 3.11), using the MCI and log Kow methods respectively. Based on the above information, the test substance is expected to have a moderate adsorption potential (US EPA, 2012) to soil and sediment, leading to slow migration to ground water. Overall, the KOC predictions for the test substance using KOCWIN model of EPI Suite TM can be considered to be reliable with moderate confidence.
The average Koc value of 1469 was retained for risk assessment purposes.
Furthermore, after discussion with ECHA in the frame of a Dossier Improvement Action Plan (DIAP), Koc testing according to OECD Guideline 106 is planned with the read across substance C16 MEA in order to support the modelling results obtained with EPISuite across all MEA-FAA substances.
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.
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