Registration Dossier
Registration Dossier
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EC number: 206-750-7 | CAS number: 372-31-6
Acute Toxicity: oral
Administrative data
- Endpoint:
- acute toxicity: oral
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Reference
- Reference Type:
- other: Prediction report
- Title:
- R: QSAR Toolbox 2.3.0.1132 prediction for LD50 read across evaluation for 372-31-6
- Author:
- Sustainability Support Services (Europe) AB
- Year:
- 2 012
- Bibliographic source:
- QSAR Toolbox Version 2.3
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 401 (Acute Oral Toxicity)
- GLP compliance:
- no
- Test type:
- acute toxic class method
Test material
- Reference substance name:
- Ethyl 4,4,4-trifluoroacetoacetate
- EC Number:
- 206-750-7
- EC Name:
- Ethyl 4,4,4-trifluoroacetoacetate
- Cas Number:
- 372-31-6
- Molecular formula:
- C6H7F3O3
- IUPAC Name:
- ethyl 4,4,4-trifluoro-3-oxobutanoate
- Test material form:
- other: liquid
- Details on test material:
- -Substance Name: ethyl 4,4,4-trifluoroacetoacetate
-Molecular formula : C6H7F3O3
-Substance type: Organic
-physical state-liquid
Constituent 1
Test animals
- Species:
- rat
- Strain:
- Brown Norway
- Sex:
- not specified
Administration / exposure
- Route of administration:
- oral: unspecified
- Vehicle:
- not specified
- Control animals:
- not specified
- Details on study design:
- duration-6hrs
Results and discussion
Effect levels
- Sex:
- not specified
- Dose descriptor:
- LD50
- Effect level:
- 2 135.243 mg/kg bw
- Based on:
- test mat.
- Remarks on result:
- other: Other details not known
Any other information on results incl. tables
The prediction was based on dataset comprised from the following descriptors: LD50
Estimation method: Taking average value from the 5 nearest neighbours
Domain logical expression:Result: In Domain
("a" and ("b" and "c" ) )
Domain logical expression index: "a"
Referential boundary: The target chemical should be classified as Esters (Acute toxicity) by US-EPA New Chemical Categories
Domain logical expression index: "b"
Parametric boundary:The target chemical should have a value of log Kow which is >= -0.698
Domain logical expression index: "c"
Parametric boundary:The target chemical should have a value of log Kow which is <= 2.84
Applicant's summary and conclusion
- Interpretation of results:
- not classified
- Remarks:
- Migrated information Criteria used for interpretation of results: EU
- Conclusions:
- The acute oral median lethal dose (LD50) of ethyl 4,4,4-trifluoroacetoacetate in Rattus norvegicus in 6 hr study was estimated to be 2135.243 mg/kgbw.This value indicates that ethyl 4,4,4-trifluoroacetoacetate does not exhibits acute toxicity by the oral route.
- Executive summary:
The acute oral median lethal dose (LD50) ofethyl 4,4,4-trifluoroacetoacetateinRattus norvegicusin 6 hr study was estimated to be2135.243 mg/kg/bw.Thus considering the CLP Criteria for classification of the substance, it is concluded that ethyl 4,4,4-trifluoroacetoacetatecould not exhibit acute toxicity in Rattus norvegicusby the oral route since the end point result indicates the value to be above 2000 mg/kg (which is the criteria for minimum classification)
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