Registration Dossier
Registration Dossier
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 224-815-8 | CAS number: 4501-58-0
Eye irritation
Administrative data
- Endpoint:
- eye irritation, other
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- 10-10-2020
- 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 limited documentation / justification
- Justification for type of information:
- 1. SOFTWARE
Toxtree
2. MODEL (incl. version number)
Toxtree v3.1.0
Profiler applied: Eye irritation and corrosion
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
Smiles: CC1=CCC(C1(C)C)CC=O
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
No QMRF is currently available for this endpoint from the model developer. Toxtree documentation discussing irritation profilers have been provided.
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 analysis.
- GLP compliance:
- no
Test material
- Reference substance name:
- (R)-2,2,3-trimethylcyclopent-3-ene-1-acetaldehyde
- EC Number:
- 224-815-8
- EC Name:
- (R)-2,2,3-trimethylcyclopent-3-ene-1-acetaldehyde
- Cas Number:
- 4501-58-0
- Molecular formula:
- C10H16O
- IUPAC Name:
- (R)-2,2,3-trimethylcyclopent-3-ene-1-acetaldehyde
- 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
- Amount / concentration applied:
- Other: not applicable.
- Duration of treatment / exposure:
- Other: not applicable.
- Observation period (in vivo):
- Other: not applicable.
- Duration of post- treatment incubation (in vitro):
- Other: not applicable.
- Number of animals or in vitro replicates:
- Other: not applicable.
- Details on study design:
- QSAR analysis
Results and discussion
In vitro
Results
- Irritation parameter:
- other: Toxtree prediction
- Remarks on result:
- positive indication of irritation
- Other effects / acceptance of results:
- Other effects / acceptance of results
Structural alerts were identified for eye irritation/corrosion for the test substance using Toxtree v3.1.0.
Applicant's summary and conclusion
- Interpretation of results:
- Category 2 (irritating to eyes) based on GHS criteria
- Conclusions:
- Toxtree evaluation showed alerts for eye irritation/corrosion. Therefore, the test substance is classified into category 2, H319 according to the Regulation (EC) No. 1272/2008.
- Executive summary:
Toxtree v3.1.0 was used to predict the eye irritation/corrosion potential of 2-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]acetaldehyde.
The query structure does match structural alerts or examples for eye irritation/corrosion.
Toxtree evaluation showed alerts for eye irritation/corrosion. 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.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
