Registration Dossier
Registration Dossier
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EC number: 203-372-4 | CAS number: 106-20-7
Biodegradation in soil
Administrative data
Link to relevant study record(s)
Description of key information
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.
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.
Metabolites
The QSAR estimation model CATABOL 301C v02.08 (OASIS Catalogic v5.15.2.14) was used, in order to predict potential metabolites of the parent compound bis(2-ethylhexyl)amine (CAS 106-20-7).
For the substance the QSAR model predicted five relevant metabolites in terms of the PBT/vPvB assessment, with an estimated quantity of ≥ 0.1% (equivalent to a quantity setting in OASIS CATALOGIC of ≥0.001 mol/mol parent). Four metabolites were calculated to be readily biodegradable (≥ 60% after 28 days, based on BOD; individual biodegradation ranging from 63 to 89%), thereby not fulfilling the screening criteria as potentially P/vP as laid down in Section 3.1 of REACH Annex XIII. One metabolite (#1.3) was calculated to be not readily biodegradable (< 60% after 28 days, based on BOD).
Three of the metabolites were not completely in the applicability domain of the BOD model due to fragments which were not present in the chemicals of the training set. In case of metabolites #1.4 and #1.7, the fraction of the unknown fragments is low (≤ 10%); therefore, the result is sufficiently reliable. The biodegradability prediction of metabolite #1.5 is not reliable as 70% of the fragments are not present in chemicals of the training set.
Therefore, the bioaccumulation potential is also assessed. All five metabolites have a log Kow ≤ 4.5 (ranging from 0.91 to 2.96), 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 P/vP and B/vB 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.
The ECHA disseminated database lists metabolites #1.3 and #1.4 also as not PBT/vPvB; therefore, supporting the assessment of these substances.
Based on modeled data relevant degradation products present in concentration of ≥ 0.1% (equivalent to quantity setting in OASIS CATALOGIC: ≥0.001 [mol/mol parent]) do neither fulfill the PBT criteria (not PBT) nor the vPvB criteria (not vPvB).
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.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
