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EC number: 212-133-3
CAS number: 764-99-8
Adsorption to the solid soil phase is not expected.
In Article 13 of Regulation (EC) No 1907/2006, it is laid down that information on intrinsic properties of substances may be generated by means other than tests, provided that the conditions set out in Annex XI (of the same Regulation) are met.
According to Annex XI of Regulation (EC) No 1907/2006 (Q)SAR results can be used if (1) the scientific validity of the (Q)SAR model has been established, (2) the substance falls within the applicability domain of the (Q)SAR model, (3) the results are adequate for the purpose of classification and labeling and/or risk assessment and (4) adequate and reliable documentation of the applied method is provided.
For the assessment of the substance (Q)SAR results were used for the estimation of the adsorption potential. The criteria listed in Annex XI of Regulation (EC) No 1907/2006 are considered to be adequately fulfilled and therefore the endpoint(s) sufficiently covered and suitable for risk assessment.
According to Regulation (EC) 1907/2006 Annex IX, Section 9.3.3, Column 2, an adsorption study does not need to be conducted since the substance has a log Kow less or equal than 3. 1,1'-[Oxybis(ethyleneoxy)]diethylene (CAS 764-99-8) has a measured log Kow of 1.8 (BASF, 2012, 11L00357, see IUCLID Ch. 4.7). Therefore, an experimental study on adsorption/desorption is not provided.
In order to assess the adsorption potential of the substance, the Koc value was estimated using QSAR models. According to the MCI method of the KOCWIN v2.00 module of EPI Suite v4.11 the substance has a log Koc of 1.0 (BASF SE, 2022). The MCI module is more reliable than the log Kow method of KOCWIN v2.00, which estimates the Koc based on the n-octanol/water partition coefficient. The latter method resulted in a log Koc of 1.65. These estimates are representative for uncharged molecules; the substance is not completely within the applicability domain of the estimation models. Regarding molecular weight and log Kow the substance is to 100% within the range of training and validation set; however, with regard to fragment corrections, the number of instances of one fragment was exceeded by one. It is not expected that this will have a significant effect on the outcome of the estimation.
Based on these results, adsorption to the solid soil phase is not expected under environmentally relevant conditions.
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