Registration Dossier
Registration Dossier
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EC number: 200-926-7 | CAS number: 76-02-8
Biodegradation in water: screening tests
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:
- 2 017
- 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 substance name:
- Trichloroacetic acid
- EC Number:
- 200-927-2
- EC Name:
- Trichloroacetic acid
- Cas Number:
- 76-03-9
- Molecular formula:
- C2HCl3O2
- IUPAC Name:
- trichloroacetic acid
- Test material form:
- solid
- Details on test material:
- No data available
Constituent 1
- 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.
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