Registration Dossier

Administrative data

Endpoint:
mode of degradation in actual use
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method

Data source

Reference
Reference Type:
other company data
Title:
Unnamed
Year:
2019

Materials and methods

Results and discussion

Applicant's summary and conclusion

Executive summary:

The degradation pathway of the registration substance has been modeled and is included in the IUCLID dataset.

 

By using the EAWAG-MODEL[1], which is proposed in ECHA Guidance document R.7.9.3.1, using SMILES-Code OCCN(CCO)C1CCCCC1, different possible pathways can be described. All result in complete mineralization of the substance. The obtained pictures showing the predicted pathway can be found attached.

Following the predicted pathway, the degradation of the registration substance is initiated either by subsequent direct elimination of the ethoxylate groups, by elimination of the ethoxylate groups by oxidation of the hydroxyl groups or by direct elimination of the cyclohexane moiety. The formed cyclohexylamine or cyclohexanone are further degraded through the cyclohexane pathway. The formed amino compounds are further degraded as modeled and described below for linear primary amine ethoxylates for diethanolamine.

 

In conclusion no stable metabolites must be expected, and the degradation pathway is similar for all constituents of the substance.

[1]http://eawag-bbd.ethz.ch/