Registration Dossier
Registration Dossier
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EC number: 250-938-1 | CAS number: 32162-27-9
Skin sensitisation
Administrative data
- Endpoint:
- skin sensitisation, other
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- 28-09-2020
- 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
Derek Nexus: 6.1.0, Nexus: 2.3.0, Lhasa Ltd.
2. MODEL (incl. version number)
Derek KB 2020 1.0. Version 1.0. Last Modified Date: 26/03/2020 09:28:54. Certified by: Lhasa Limited, Leeds, Yorkshire, UK.
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
Smiles: CC(C)(O)C1CCC(C)(O)CC1
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
See attached QMRF
5. APPLICABILITY DOMAIN
See attached report
6. ADEQUACY OF THE RESULT
See attached report
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 020
- Report date:
- 2020
Materials and methods
Test guideline
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- QSAR study result
- GLP compliance:
- no
- Justification for non-LLNA method:
- QSAR study result
Test material
- Reference substance name:
- (1α,2β,4β,6α)-2,2,7-trimethyl-3-oxatricyclo[4.1.1.02,4]octane
- EC Number:
- 250-938-1
- EC Name:
- (1α,2β,4β,6α)-2,2,7-trimethyl-3-oxatricyclo[4.1.1.02,4]octane
- Cas Number:
- 32162-27-9
- Molecular formula:
- C10H16O
- IUPAC Name:
- 2,7,7-trimethyl-3-oxatricyclo[4.1.1.0~2,4~]octane
- Test material form:
- liquid
Constituent 1
In vivo test system
Test animals
- Species:
- other: not applicable
- Strain:
- other: not applicable
- Sex:
- not specified
- Details on test animals and environmental conditions:
- not applicable
Results and discussion
In vivo (non-LLNA)
Results
- Key result
- Remarks on result:
- positive indication of skin sensitisation
Any other information on results incl. tables
QSAR study result
Applicant's summary and conclusion
- Interpretation of results:
- Category 1 (skin sensitising) based on GHS criteria
- Conclusions:
- DEREK Nexus evaluation showed alerts for skin sensitisation. Therefore, the test substance is considered as skin sensitiser according to EU and UN GHS criteria.
- Executive summary:
DEREK software ( Derek Nexus: 6.1.0, Nexus: 2.3.0, Lhasa Ltd.) was used to predict the mutagenicity of the test substance.
The query structure does match structural alerts or examples for skin sensitisation in Derek. All the evaluations for several animals are PLAUSIBLE.
DEREK Nexus evaluation showed alerts for skin sensitisation. Therefore, the test substance is considered as skin sensitiser and classified into category 1, H317 according to EU and UN GHS criteria.
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