Registration Dossier
Registration Dossier
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EC number: 224-166-0 | CAS number: 4221-80-1
Adsorption / desorption
Administrative data
Link to relevant study record(s)
Description of key information
Adsorption to the solid soil phase is expected.
Key value for chemical safety assessment
Additional information
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. Furthermore according to Article 25 of the same Regulation testing on vertebrate animals shall be undertaken only as a last resort.
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 EC 224-166-0 (Q)SAR results were used for adsorption/desorption. 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.
Therefore, further experimental studies on adsorption/desorption are not provided.
The adsorption/desorption potential of the compound was assessed with the KOCWIN v2.00 model integrated in the EPISuite v4.11. Two different methodologies are available which in the present case delivered comparable results. The MCI method uses the Molecular Connectivity Index (MCI) and is described in detail in the journal article of Meylan et al. (1992) and in a report prepared for the US EPA (SRC 1991). The method determined a logKoc of 6.6218.
The second model (logKow method) is based on the high correlation of log Kow and the adsorption potential. The method determined a logKoc of 6.5577. The compound is within the range of the applicability domain but the estimated logKow is outside the range of the training and validation set. Therefore, the estimate may be less accurate. However, the result is in the same range as the MCI model. Therefore, it is taken into account in the assessment of the adsortpion/desorption potential of the compund.
In conclusion, due to the high logKoc adsorption to the solid soil phase is expected.
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