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EC number: 202-805-4 | CAS number: 99-97-8
Repeated dose toxicity: inhalation
Administrative data
- Endpoint:
- sub-chronic 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 99-97-8
- 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:
- QSAR prediction is done using QSAR toolbox version 2.3
- GLP compliance:
- not specified
Test material
- Reference substance name:
- N,N-dimethyl-p-toluidine
- EC Number:
- 202-805-4
- EC Name:
- N,N-dimethyl-p-toluidine
- Cas Number:
- 99-97-8
- Molecular formula:
- C9H13N
- IUPAC Name:
- N,N,4-trimethylaniline
- Details on test material:
- SMILES:c1(N(C)C)ccc(C)cc1
Constituent 1
Test animals
- Species:
- rat
- Strain:
- Fischer 344
- Sex:
- male/female
Administration / exposure
- Route of administration:
- inhalation: vapour
- Type of inhalation exposure:
- not specified
- Vehicle:
- not specified
Results and discussion
Effect levels
- Dose descriptor:
- LOEL
- Effect level:
- 67.284 mg/kg bw/day (actual dose received)
- Based on:
- test mat.
- Sex:
- male/female
- Basis for effect level:
- other: body weight decrease
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 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(N(C)C)ccc(C)cc1
Threshold=50%,
Dice(Atom pairs)
Domain logical expression index: "b"
Similarity boundary:Target: c1(N(C)C)ccc(C)cc1
Threshold=80%,
Dice(Atom pairs)
Domain logical expression index: "c"
Parametric boundary:The target chemical should have a value of log Kow which is >= 2.17
Domain logical expression index: "d"
Parametric boundary:The target chemical should have a value of log Kow which is <= 3.17
Applicant's summary and conclusion
- Conclusions:
- Based on the QSAR prediction done for N,N-dimethyl-p-toluidine for repeated dose via inhalation by vapour route it was estimated that the LOEL value is 67.28 mg/kg bw/day for rats based on effect on body weight decrease.
- Executive summary:
Based on the QSAR prediction done for N,N-dimethyl-p-toluidine for repeated dose via inhalation by vapour route it was estimated that the LOEL value is 67.28 mg/kg bw/day for rats based on effect on body weight decrease.
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