Registration Dossier
Registration Dossier
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EC number: 214-222-2 | CAS number: 1115-20-4
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
- Koc at 20 °C:
- 10
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 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.
Therefore, further experimental studies on the adsorption potential are not provided.
Assessment
According to Regulation (EC) No 1907/2006, Annex VIII, Section 9.3.1, Column 2, the study on adsorption/desorption screening does not need to be conducted if based on the physicochemical properties the substance can be expected to have a low potential for adsorption (e.g. the substance has a low octanol water partition coefficient). The substance (CAS 1115-20-4) has an experimentally determined log Kow of 0.858 (25 °C; BASF AG, 1988, report no. 122962/02, see IUCLID Ch. 4.7).
According to Regulation (EC) No 1907/2006, Annex VIII, Section 9.3.1, Column 2, the study on adsorption/desorption screening does not need to be conducted if based on the physicochemical properties the substance and its relevant degradation products decompose rapidly. The substance (CAS 1115-20-4) is readily biodegradable (OECD 301A, BASF AG, 2003, report no. 03/0084/21/1; see IUCLID Ch. 5.2.1).
To assess the adsorption potential of the substance no experimental data exist. Therefore, 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 Koc of 10 L/kg and a log Koc of 1 (BASF SE, 2021). The MCI module, which is more reliable than the log Kow method of KOCWIN v2.00, estimates the Koc based on the n-octanol/water partition coefficient (log Kow = 0.858; BASF AG, 1988, report no. 122962/02; see IUCLID Ch. 4.7). The latter method resulted in a Koc of 3.3 L/kg and a log Koc of 0.51. The substance was not completely within the applicability domain of the models as one of the fragment corrections occurs twice in the substance, but has a maximum number of occurence based on the training set of 1. Nevertheless as the deviation is low and only applies to one of the correction factors, the estimated Koc values can be regarded as sufficiently reliable to support the assessment of the adsorption potential of the substance.
It can be concluded that adsorption to the solid soil phase is not to be expected.
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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