Registration Dossier
Registration Dossier
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EC number: 250-938-1 | CAS number: 32162-27-9
Eye irritation
Administrative data
- Endpoint:
- eye irritation, 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
No QMRF is currently available for this irritation endpoints from the model developer. See attached documentation from Nexus Derek discussing irritation endpoints.
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
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
Test animals / tissue source
- Species:
- other: not applicable
- Strain:
- other: not applicable
Test system
- Vehicle:
- other: not applicable
- Controls:
- other: not applicable
- Duration of treatment / exposure:
- not applicable
- Observation period (in vivo):
- not applicable
- Duration of post- treatment incubation (in vitro):
- not applicable
- Number of animals or in vitro replicates:
- not applicable
Results and discussion
In vitro
Results
- Irritation parameter:
- other: QSAR result
- Remarks on result:
- positive indication of irritation
Applicant's summary and conclusion
- Interpretation of results:
- Category 2 (irritating to eyes) based on GHS criteria
- Conclusions:
- DEREK Nexus evaluation showed alerts for eye irritation/corrosion.
- Executive summary:
DEREK software ( Derek Nexus: 6.1.0, Nexus: 2.3.0, Lhasa Ltd.) was used to predict the eye irritation/corrosion potential of (1α,2β,4β,6α)-2,2,7-trimethyl-3-oxatricyclo[4.1.1.02,4]octane
The query structure does match structural alerts or examples for eye irritation/corrosion in Derek.
DEREK Nexus evaluation showed alerts for eye irritation. Therefore, the test substance is considered as irritating to eyes and classified into category 2, H319 according to CLP and UN GHS criteria.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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