Registration Dossier
Registration Dossier
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EC number: 238-969-9 | CAS number: 14901-07-6
Acute Toxicity: inhalation
Administrative data
- Endpoint:
- acute toxicity: inhalation
- 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: Predicted data
- Title:
- R: QSAR Toolbox 2.3.0.1132 prediction for LC50 read across evaluation for 14901-07-6
- 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:
- other: estimated data
- Principles of method if other than guideline:
- Prediction is done using QSAR Toolbox version 2.3
- GLP compliance:
- no
- Test type:
- other: Acute Rodent Inhalation Toxicity Test
Test material
- Reference substance name:
- 4-(2,6,6-trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-one
- EC Number:
- 238-969-9
- EC Name:
- 4-(2,6,6-trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-one
- Cas Number:
- 14901-07-6
- Molecular formula:
- C13H20O
- IUPAC Name:
- 4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one
- Test material form:
- other: oily liquid
- Details on test material:
- -Name of test material (as cited in study report): 4-(2,6,6-trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-one
- Substance type: Organic
- Physical state: liquid
Constituent 1
Test animals
- Species:
- mouse
- Strain:
- Swiss Webster
- Sex:
- male
Administration / exposure
- Route of administration:
- inhalation
- Type of inhalation exposure:
- other: Inhalation: Vapor
- Vehicle:
- other: Unchanged (No Vehicle/Air)
- Duration of exposure:
- 4 h
- Concentrations:
- 135, 200, 300, & 450 ppm
- No. of animals per sex per dose:
- 6 animals
- Control animals:
- not specified
Results and discussion
Effect levels
- Sex:
- male
- Dose descriptor:
- LC50
- Effect level:
- 538.488 ppm
- Based on:
- test mat.
- Exp. duration:
- 4 h
Any other information on results incl. tables
The prediction was based on dataset comprised from the following descriptors: LC50
Estimation method: Taking average value from the 5 nearest neighbours
Domain logical expression:Result: In Domain
(("a" and "b" ) and ("c" and "d" ) )
Domain logical expression index: "a"
Similarity boundary:Target: C1(C)(C)C(C=CC(C)=O)=C(C)CCC1
Threshold=50%,
Dice(Atom pairs)
Domain logical expression index: "b"
Similarity boundary:Target: C1(C)(C)C(C=CC(C)=O)=C(C)CCC1
Threshold=60%,
Dice(Atom pairs)
Domain logical expression index: "c"
Parametric boundary:The target chemical should have a value of log Kow which is >= 1.61
Domain logical expression index: "d"
Parametric boundary:The target chemical should have a value of log Kow which is <= 4.45
Applicant's summary and conclusion
- Interpretation of results:
- not classified
- Remarks:
- Migrated information Criteria used for interpretation of results: EU
- Conclusions:
- Inhalation toxicity (LC50) of 4-(2,6,6-trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-one vapours was examined for 4 hrs.in male Swiss Webster mouse at a dose concentration of 538.488 ppm.This value suggest that the chemical 4-(2,6,6-trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-one is non toxic by inhalation route.
- Executive summary:
</font> Inhalation toxicity (LC50) of 4-(2,6,6-trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-one vapours was examined for 4 hrs.in male Swiss Webster mouse at a dose concentration of 538.488 ppm.This value suggest that the chemical 4-(2,6,6-trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-one is non toxic by inhalation route.
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