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Environmental fate & pathways

Biodegradation in water: screening tests

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Administrative data

Endpoint:
biodegradation in water: screening test, other
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
Justification for type of information:
1. SOFTWARE: VEGA

2. MODEL (incl. version number): Ready Biodegradability model (IRFMN) version 1.0.9

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL: O=C(O)C(Cl)(Cl)Cl
The registered substance being unstable in water, the logKow of its main degradation product (i.e. trichloroacetic acid) has been assessed to support the waiving. The justification of the analogue approach is available in the attached document.

4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
The model is based on the OECD 301C Modified MITI (I) Test data and provides a qualitative evaluation (binary classification) of ready biodegradability properties.
The QMRF is attached below.

5. APPLICABILITY DOMAIN
The applicability domain is available in the attached document below named "VegaNIC_doc_ModelGuide.pdf".

6. ADEQUACY OF THE RESULT
Ready biodegradability is a relevant information to determine the environmental classification according to the UN GHS and CLP.

Data source

Reference
Title:
Report - Prediction and Applicability Domain analysis for models: Ready Biodegradability model (IRFMN) 1.0.9
Year:
2017
Bibliographic source:
VEGA in silico platform version 1.1.4

Materials and methods

Test guideline
Guideline:
other: REACH Guidance on QSARs R.6
Principles of method if other than guideline:
The model is based on the OECD 301C Modified MITI (I) Test data and provides a qualitative evaluation (binary classification) of ready biodegradability properties. It has been developed using Sarpy software, by Istituto di Ricerche Farmacologiche Mario Negri and Politecnico di Milano.

Test material

Reference
Name:
Unnamed
Type:
Constituent
Test material form:
solid
Details on test material:
No data available
Specific details on test material used for the study:
SMILES: O=C(O)C(Cl)(Cl)Cl

Results and discussion

% Degradation
Key result
Parameter:
probability of ready biodegradability (QSAR/QSPR)
Remarks on result:
not readily biodegradable based on QSAR/QSPR prediction

Applicant's summary and conclusion

Interpretation of results:
not readily biodegradable
Conclusions:
Trichloroacetic acid is considered as not readily biodegradable.