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Environmental fate & pathways

Biodegradation in water and sediment: simulation tests

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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


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 3-Methoxy-propylamine, (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.



The ready biodegradability of 3-Methoxy-propylamine 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 68 % after 28d (BASF, 2022).



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 3-Methoxy-propylamine (CAS 5332-73-0).

For 3-Methoxy-propylamine the QSAR estimation model predicted 10 metabolites, identifying 2 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]). The relevant metabolites were calculated to be readily biodegradable (≥ 60% after 28 days, based on BOD; individual biodegradation ranging from 62 to 76%), thereby not fulfilling the screening criteria as potentially P/vP as laid down in Section 3.1 of REACH Annex XIII. All relevant metabolites have a log Kow ≤ 3 (ranging from -0.19 to -4.09), 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 fulfill 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.