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EC number: 204-442-7 | CAS number: 121-00-6
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 25013-16-5
- Author:
- Sustainability Support Services
- 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:
- Data is from QSAR Toolbox version 3.2
- GLP compliance:
- not specified
Test material
- Reference substance name:
- 2-tert-butyl-4-methoxyphenol
- EC Number:
- 204-442-7
- EC Name:
- 2-tert-butyl-4-methoxyphenol
- Cas Number:
- 121-00-6
- Molecular formula:
- C11H16O2
- IUPAC Name:
- 2-tert-butyl-4-methoxyphenol
- Details on test material:
- - Name of test material (as cited in study report): tert-butyl-4-methoxyphenol
- Substance type: Organic
- Physical state: Solid
- SMILES:C(C)(C)(C)c1c(O)ccc(OC)c1
Constituent 1
Test animals
- Species:
- rat
- Strain:
- Fischer 344
- Sex:
- not specified
Administration / exposure
- Route of administration:
- inhalation
- Type of inhalation exposure:
- not specified
- Vehicle:
- not specified
- Analytical verification of doses or concentrations:
- not specified
Results and discussion
Effect levels
- Dose descriptor:
- LOEL
- Effect level:
- 154.852 other: mg/kg bw/day
- Based on:
- test mat.
- Sex:
- 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 6 nearest neighbours
Domain logical expression:Result: In Domain
(("a" and "b" ) and ("c" and "d" ) )
Domain logical expression index: "a"
Similarity boundary:Target: C(C)(C)(C)c1c(O)ccc(OC)c1
Threshold=50%,
Dice(Atom pairs)
Domain logical expression index: "b"
Similarity boundary:Target: C(C)(C)(C)c1c(O)ccc(OC)c1
Threshold=60%,
Dice(Atom pairs)
Domain logical expression index: "c"
Parametric boundary:The target chemical should have a value of log Kow which is >= 2.61
Domain logical expression index: "d"
Parametric boundary:The target chemical should have a value of log Kow which is <= 4.2
Applicant's summary and conclusion
- Conclusions:
- Repeated dose toxicity LOEL (Lowest observed effect level) of tert-butyl-4-methoxyphenol to rat by the inhalative route was observed at dose concentration of 154.8519 mg/kg bw/day.
- Executive summary:
</font> Repeated dose toxicity LOEL (Lowest observed effect level) of tert-butyl-4-methoxyphenol to rat by the inhalative route was observed at dose concentration of 154.8519 mg/kg bw/day.
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