Registration Dossier
Registration Dossier
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EC number: 212-828-1 | CAS number: 872-50-4
Adsorption / desorption
Administrative data
Link to relevant study record(s)
Description of key information
Adsorption to the solid soil phase is not expected.
Key value for chemical safety assessment
Additional information
QSAR-disclaimer:
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 1-Methyl-2-pyrrolidone (CAS 872-50-4) (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.
Therefore, further experimental studies on the adsorption potential are not provided.
Assessment:
According to Regulation (EC) No 1907/2006, Column 2 of Annex VIII, section 9.3.1, a study on adsorption/desorption does not need to be conducted if, based on the physicochemical properties (for instance a low octanol water partition coefficient), the substance can be expected to have a low potential for adsorption. 1-Methyl-2-pyrrolidone (CAS 872-50-4) has a measured log Kow -0.46 (@25°C; BASF AG, 1988), indicating a low adsorption potential. Therefore, no study on adsorption is performed.
However, in order to assess the adsorption potential of the substance, the Koc value was estimated using (Q)SAR models. According to the MCI method of the KOCWIN v2.00 module of EPI Suite v4.11, 1-Methyl-2-pyrrolidone (CAS 872-50-4) has a log Koc of 0.87. 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 (log Kow = -0.46; BASF AG, 1988; report no.: BRU 84.2). The latter method resulted in a log Koc of 0.62. The substance is within the applicability domain of both methods.
Based on the estimated data, the substance is not expected to adsorb to the solid soil phase.
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