Registration Dossier
Registration Dossier
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EC number: 603-440-7 | CAS number: 13081-18-0
Boiling point
Administrative data
- Endpoint:
- boiling point
- 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:
- no
- 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
Boiling point
- Boiling pt.:
- 131.47 °C
- Remarks on result:
- other: Other details not available
Applicant's summary and conclusion
- Conclusions:
- From Danish QSAR modelling database Boiling point of test substance Ethyl 3,3,3-trifluoropyruvate was estimated to be 131.47 deg C.
- Executive summary:
From Danish QSAR modelling database Boiling point of test substance Ethyl 3,3,3-trifluoropyruvate was estimated to be 131.47 deg C.
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