Registration Dossier
Registration Dossier
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 214-269-9 | CAS number: 1118-84-9
Repeated dose toxicity: oral
Administrative data
- Endpoint:
- sub-chronic toxicity: oral
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Reference
- Reference Type:
- other: Predicted data
- Title:
- R: QSAR Toolbox 2.3.0.1132 prediction for "Effect LOEL" read across evaluation for 1118-84-9
- 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:
- other: Estimated data
- Principles of method if other than guideline:
- Prediction is done using QSAR Toolbox version 2.3.
- GLP compliance:
- no
Test material
- Reference substance name:
- Allyl acetoacetate
- EC Number:
- 214-269-9
- EC Name:
- Allyl acetoacetate
- Cas Number:
- 1118-84-9
- Molecular formula:
- C7H10O3
- IUPAC Name:
- allyl acetoacetate
- Details on test material:
- - Name of the test material : Allyl acetoacetate
- Molecular formula : C7H10O3
- Molecular weight : 142.16
- Physical state: Liquid
- Substance type : Organic
Constituent 1
Test animals
- Species:
- rat
- Strain:
- Sprague-Dawley
- Sex:
- not specified
Administration / exposure
- Route of administration:
- oral: unspecified
- Vehicle:
- not specified
- Analytical verification of doses or concentrations:
- no
Results and discussion
Effect levels
- Dose descriptor:
- other: "Effect LOEL"
- Effect level:
- 1 689.051 mg/kg bw/day (actual dose received)
- Based on:
- test mat.
- Sex:
- not specified
- Basis for effect level:
- other: not specified
- Remarks on result:
- other: not specified
Target system / organ toxicity
- Critical effects observed:
- not specified
- Organ:
- not specified
- Treatment related:
- not specified
- Dose response relationship:
- not specified
- Relevant for humans:
- not specified
Any other information on results incl. tables
The
prediction was based on dataset comprised from the following
descriptors: "effect LOEL"
Estimation method: Taking average value from the 5 nearest neighbours
Domain logical expression:Result: In Domain
((("a"
and "b" )
and ("c"
and (
not "d")
)
)
and ("e"
and "f" )
)
Domain
logical expression index: "a"
Similarity
boundary:Target:
C(=O)(CC(C)=O)OCC=C
Threshold=50%,
Dice(Atom pairs)
Domain
logical expression index: "b"
Similarity
boundary:Target:
C(=O)(CC(C)=O)OCC=C
Threshold=60%,
Dice(Atom pairs)
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Not possible to classify
according to these rules by Protein Binding Potency
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as 2-Alken-1-als (MA) OR Acrylates
(MA) OR Alkyl 2-alkenoates (MA) OR Alkyl 4-chloroacetoacetates (SN2) OR
Extremely reactive (GSH) OR Highly reactive (GSH) OR Miscellaneous
alpha-halogenated ketones (SN2) OR Moderately reactive (GSH) OR
Substituted 1-Alken-3-ones (MA) by Protein Binding Potency
Domain
logical expression index: "e"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= 0.0016
Domain
logical expression index: "f"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 0.403
Applicant's summary and conclusion
- Conclusions:
- The repeated dose toxicity LOEL (Lowest observed effect level) of allyl acetoacetate in a study on rat was observed at a dose concentration of 1689.051 mg/kg bw/day by the oral route.This indicates that allyl acetoacetate shall not exhibit toxic effect to rat by the oral route below the above mentioned dose
- Executive summary:
The repeated dose toxicity LOEL (Lowest observed effect level) of allyl acetoacetate in a study on rat was observed at a dose concentration of 1689.051 mg/kg bw/day by the oral route.This indicates that allyl acetoacetate shall not exhibit toxic effect to rat by the oral route below the above mentioned dose
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
