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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Administrative data

Endpoint:
acute toxicity: oral
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.:
Author:
Danish (Q)SAR Database
Year:
2016
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
Test type:
standard acute method

Test material

Constituent 1
Chemical structure
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

Test animals

Species:
mouse
Strain:
not specified
Sex:
not specified

Administration / exposure

Route of administration:
oral: unspecified
Vehicle:
not specified
Control animals:
not specified

Results and discussion

Effect levels
Sex:
not specified
Dose descriptor:
LD50
Effect level:
1 800 mg/kg bw
Based on:
test mat.

Applicant's summary and conclusion

Interpretation of results:
Toxicity Category IV
Remarks:
Migrated information Criteria used for interpretation of results: EU
Conclusions:
Based on the QSAR prediction done using the Danish (Q)SAR Database, the LD50 was estimated to be 1800 mg/l on mouse for substance Ethyl 3,3,3-trifluoropyruvate. Thus based on this value it can be concluded that the substance can be classified as category IV as per the criteria of CLP regulation.
Executive summary:

Based on the QSAR prediction done using the Danish (Q)SAR Database, the LD50 was estimated to be 1800 mg/l on mouse for substanceEthyl 3,3,3-trifluoropyruvate. Thus based on this value it can be concluded that the substance can be classified as category IV as per the criteria of CLP regulation.