Registration Dossier

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:
2012
Bibliographic source:
QSAR Toolbox Version 2.3

Materials and methods

Test guideline
Qualifier:
according to
Guideline:
OECD Guideline 401 (Acute Oral Toxicity)
GLP compliance:
no
Test type:
acute toxic class method

Test material

Reference
Name:
Unnamed
Type:
Constituent
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

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)