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EC number: 210-036-0 | CAS number: 603-35-0
Biodegradation in water and sediment: simulation tests
Administrative data
Link to relevant study record(s)
Description of key information
Degradation products were predicted using a QSAR model. The relevant degradation products are neither PBT nor vPvB substances.
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 CAS 603-35-0 (Q)SAR results were used for the prediction of potential degradation products. 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.
Assessment
The ready biodegradability of the substance in water was estimated using the QSAR method of CATALOGIC 301C v11.17 (OASIS Catalogic v5.15.2.14), which predicted an O2-consumption (BOD) of 6 % after 28d (BASF, 2023).
Metabolites
The QSAR estimation model CATALOGIC 301C v11.17 (OASIS Catalogic v5.15.2.14) was also used, in order to predict potential metabolites of the parent compound (CAS 603-35-0).
For CAS 603-35-0 the QSAR estimation model predicted 39 metabolites, identifying 15 metabolites as relevant degradation products in terms of PBT/vPvB assessment, with an estimated quantity of ≥ 0.1% (equivalent to quantity setting in OASIS CATALOGIC: ≥0.001 [mol/mol parent]). One metabolite was calculated to be readily biodegradable (≥ 60% after 28 days, based on BOD; individual biodegradation is 84%), thereby not fulfilling the screening criteria as potentially P/vP as laid down in Section 3.1 of REACH Annex XIII. Fourteen metabolites were calculated to be not readily biodegradable (< 60% after 28 days, based on BOD; individual biodegradation ranging from 2 to 56%), therefore, requiring the assessment of their bioaccumulation potential. All metabolites have a log Kow ≤ 4.5 (ranging from 1to 10), thereby not fulfilling the screening criteria for bioaccumulation (B/vB) as laid down in Section 3.1 of REACH Annex XIII. As none of the relevant degradation products fulfil the screening criteria for B/vB and P/vP properties, no further assessment of their toxicity (T) is needed in accordance with Section 2.1 of Annex XIII of REACH. It can be concluded that the relevant degradation products are neither PBT nor vPvB 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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