Propanoic acid, 3,3,3-trifluoro-2-oxo-, ethyl ester

Genetic toxicity: in vitro

Administrative data

Endpoint:

in vitro gene mutation study in bacteria

Remarks:

Type of genotoxicity: gene mutation

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:

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

Type of assay:

bacterial reverse mutation assay

Test material

Test material information

Constituent 1

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

Method

Species / strain

Species / strain / cell type:

S. typhimurium TA 1535, TA 1537, TA 98 and TA 100

Additional strain / cell type characteristics:

not specified

Metabolic activation:

with and without

Metabolic activation system:

S9

Test concentrations with justification for top dose:

no data available

Controls

Untreated negative controls:

not specified

Negative solvent / vehicle controls:

not specified

True negative controls:

not specified

Positive controls:

not specified

Positive control substance:

not specified

Results and discussion

Test results

Species / strain:

S. typhimurium TA 1535, TA 1537, TA 98 and TA 100

Metabolic activation:

with and without

Genotoxicity:

negative

Cytotoxicity / choice of top concentrations:

not specified

Vehicle controls validity:

not specified

Untreated negative controls validity:

not specified

Positive controls validity:

not specified

Remarks on result:

other: all strains/cell types tested

Remarks:

Migrated from field 'Test system'.

Applicant's summary and conclusion

Conclusions:

Interpretation of results (migrated information):
negative

Based on the QSAR prediction done using the Danish (Q)SAR Database, the genetic toxicity was estimated to be negative during Ames test in S. typhimurium TA 1535, TA 1537, TA 98 and TA 100. Thus it can be concluded that the substance Ethyl 3,3,3-trifluoropyruvate is non genotoxic and based on the CLP criteria for classification it can be not classified for genetic toxicity.

Executive summary:

Based on the QSAR prediction done using the Danish (Q)SAR Database, the genetic toxicity was estimated to be negative during Ames test in S. typhimurium TA 1535, TA 1537, TA 98 and TA 100. Thus it can be concluded that the substance Ethyl 3,3,3-trifluoropyruvate is non genotoxic and based on the CLP criteria for classification it can be not classified for genetic toxicity.