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EC number: 238-969-9 | CAS number: 14901-07-6
Repeated dose toxicity: inhalation
Administrative data
- Endpoint:
- short-term repeated dose 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 "Effect LOEL" 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:
- Principles of method if other than guideline:
- Prediction is done using QSAR Toolbox version 2.3
- GLP compliance:
- no
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:
- rat
- Strain:
- Wistar
- Sex:
- male
Administration / exposure
- Route of administration:
- inhalation
- Type of inhalation exposure:
- not specified
- Vehicle:
- other: unchanged (no vehicle)
- Analytical verification of doses or concentrations:
- not specified
- Duration of treatment / exposure:
- 6 hrs.
Doses / concentrations
- Remarks:
- Doses / Concentrations:
0, 1.36, 2.71, and 5.42 mmol/cubic meter.
Basis:
no data
- No. of animals per sex per dose:
- 4 animals
- Control animals:
- other: Yes, exposed to uncontaminated air.
Results and discussion
Effect levels
- Dose descriptor:
- LOEL
- Effect level:
- 124.284 other: mg/kg/day
- Based on:
- test mat.
- Sex:
- male
- Basis for effect level:
- other: not specified
- Remarks on result:
- other: not specified
Target system / organ toxicity
- Critical effects observed:
- 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 3 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 >= 4.09
Domain
logical expression index: "d"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 4.47
Applicant's summary and conclusion
- Conclusions:
- The LOEL value observed was 124.2844 mg/kg bw/day in male Wistar rat by inhalation exposure in a repeated dose sub-acute toxicity study conducted with 4-(2,6,6-trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-one based upon decrease in body weight. This is a high value and therefore it is concluded that this chemical will not exhibit repeated dose toxicity to Wistar rat by the inhalation route.
- Executive summary:
The LOEL value observed was 124.2844 mg/kg bw/day in male Wistar rat by inhalation exposure in a repeated dose sub-acute toxicity study conducted with 4-(2,6,6-trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-one based upon decrease in body weight. This is a high value and therefore it is concluded that this chemical will not exhibit repeated dose toxicity to Wistar rat by the inhalation route.
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