Registration Dossier
Registration Dossier
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EC number: 827-072-3 | CAS number: 100074-94-0
Biodegradation in water: screening tests
Administrative data
- Endpoint:
- biodegradation in water: ready biodegradability
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- December 2018
- Reliability:
- 1 (reliable without restriction)
- 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
Data source
Reference
- Reference Type:
- other: QSAR prediction
- Title:
- PQSAR v1.1
- Author:
- ProtoQSAR
- Year:
- 2 018
- Bibliographic source:
- ProtoQSAR SL, CEEI Valencia, Parque Tecnológico de Valencia, Avda. Benjamin Franklin 12, Desp. 8, 46980 Paterna (Valencia), Tel. +34 960 88 06 58, E-mail. info@protoqsar.com
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 301 C (Ready Biodegradability: Modified MITI Test (I))
- GLP compliance:
- not specified
Test material
- Reference substance name:
- 3-~{O}-(2-ethoxy-2-oxoethyl) 1-~{O}-ethyl propanedioate
- Cas Number:
- 100074-94-0
- Molecular formula:
- C9H14O6
- IUPAC Name:
- 3-~{O}-(2-ethoxy-2-oxoethyl) 1-~{O}-ethyl propanedioate
Constituent 1
- Specific details on test material used for the study:
- SMILES: CCOC(=O)CC(=O)OCC(=O)OCC
Results and discussion
% Degradation
- Remarks on result:
- readily biodegradable based on QSAR/QSPR prediction
Applicant's summary and conclusion
- Interpretation of results:
- readily biodegradable
- Conclusions:
- Readily biodegradable (predicted value using PQSAR model)
- Executive summary:
Regulatory purpose: This study was designed to generate estimated in silico (nontesting) data for Biodegradation for 2-ethoxy-2-oxoethyl ethyl malonate to be used in the regulatory framework of REACH.
Results: Readily biodegradable (predicted value using PQSAR model)
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