Registration Dossier
Registration Dossier
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EC number: 603-440-7 | CAS number: 13081-18-0
Water solubility
Administrative data
- Endpoint:
- water solubility
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- Migrated phrase: estimated by calculation
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Data is from modelling database developed by the National Food Institute, Technical University of Denmark.
Data source
Reference
- Reference Type:
- other: Authoritative data base
- Title:
- Danish QSAR study for CAS No.:13081-18-0
- Author:
- Danish (Q)SAR Database
- Year:
- 2 016
- Bibliographic source:
- Database developed by National Food Institute, Technical University of Denmark, with support from the Danish Environmental Protection Agency, the Nordic Council of Ministers and the European Chemicals Agency.
Materials and methods
- Principles of method if other than guideline:
- Data is predicted using the Danish (Q)SAR Database
- GLP compliance:
- not specified
- Type of method:
- other: estimated
Test material
- Reference substance name:
- ethyl 3,3,3-trifluoro-2-oxopropanoate
- EC Number:
- 603-440-7
- Cas Number:
- 13081-18-0
- Molecular formula:
- C5H5F3O3
- IUPAC Name:
- ethyl 3,3,3-trifluoro-2-oxopropanoate
- Details on test material:
- - Name of test material (as cited in study report): Ethyl 3,3,3-trifluoropyruvate
- Molecular formula: C5H5F3O3
- Molecular weight: 170.08 g/mol
- Smiles notation: C(F)(F)(F)C(=O)C(=O)OCC
- Substance type: Organic
- Physical state: liquid
Constituent 1
Results and discussion
Water solubility
- Water solubility:
- 67 800 mg/L
- Remarks on result:
- other: other details not available
Applicant's summary and conclusion
- Conclusions:
- Interpretation of results (migrated information): very soluble (> 10000 mg/L)
From Danish QSAR modelling databse Water solubility of test substance Ethyl 3,3,3-trifluoropyruvate was estimated to be 67800 mg/l. - Executive summary:
From Danish QSAR modelling databse Water solubility of test substance Ethyl 3,3,3-trifluoropyruvate was estimated to be 67800 mg/l.
From this result value it is concluded that the test substance is very soluble in nature.
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