Registration Dossier
Registration Dossier
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EC number: 946-248-1 | CAS number: -
Acute Toxicity: dermal
Administrative data
- Endpoint:
- acute toxicity: dermal
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Study period:
- 2020
- 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:
- 1. SOFTWARE
OECD [Q]SAR Toolbox
2. MODEL (incl. version number)
QSAR Toolbox 4.3.1
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
CAS: 20770-40-5
SMILES: CC(CCC=C(C)C)CCOC(=O)C=C(C)C
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
Please see the attached OECD [Q]SAR Toolbox report.
Data source
Materials and methods
Results and discussion
Effect levels
- Key result
- Sex:
- male/female
- Dose descriptor:
- LD50
- Remarks:
- Predicted value: 1,28E+04 (from -3,11E+03 to 2,86E+04) Unit/scale: mg/kg bdwt
- Effect level:
- 12 800 mg/kg bw
- Remarks on result:
- other: QSAR prediction
Applicant's summary and conclusion
- Interpretation of results:
- GHS criteria not met
- Conclusions:
- The LD50 dermal rabbits predicted was 12800 mg/kg bdwt. (see attached prediction report)
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