Registration Dossier
Registration Dossier
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EC number: 203-405-2 | CAS number: 106-51-4
Acute Toxicity: oral
Administrative data
- Endpoint:
- acute toxicity: oral
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- Non-testing data acc. to R.7.4.3.1.1 of the Guidance on Information Requirements and Chemical Safety Assessment (Version 6.0, July 2017)
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 017
- Report date:
- 2017
Materials and methods
Test guideline
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 423 (Acute Oral toxicity - Acute Toxic Class Method)
- Principles of method if other than guideline:
- Nonlinear ANN QSAR model for acute oral toxicity – toxic class method (rat)
- GLP compliance:
- no
- Remarks:
- QSAR-method
- Test type:
- acute toxic class method
- Limit test:
- no
Test material
- Reference substance name:
- p-benzoquinone
- EC Number:
- 203-405-2
- EC Name:
- p-benzoquinone
- Cas Number:
- 106-51-4
- Molecular formula:
- C6H4O2
- IUPAC Name:
- 1,4-benzoquinone
- Test material form:
- solid: particulate/powder
Constituent 1
Test animals
- Species:
- rat
Results and discussion
Effect levels
- Key result
- Sex:
- not specified
- Dose descriptor:
- LD50
- Effect level:
- 197 mg/kg bw
Any other information on results incl. tables
The prediction reliability in terms of ATE Category is estimated as 86 %.
The mechanistic picture of the model is complicated due to the nature of the endpoint and the nonlinear modeling technique - ANN (artificial neural network). Nevertheless, it can be concluded that model descriptors are related to the overall polarity - polarizability, reactivity, electrostatic and hydrogen donor/acceptor ability of the compounds stressing the role of heteroatoms
Applicant's summary and conclusion
- Interpretation of results:
- Category 3 based on GHS criteria
- Conclusions:
- The calculated LD50 for p-benzoquinone is 197 mg/kg bw for rats acc. to QSARModel 3.3.8; Statistica 7.
- Executive summary:
The calculated LD50 for p-benzoquinone is 197 mg/kg bw for rats acc. to QSARModel 3.3.8; Statistica 7.
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