Registration Dossier
Registration Dossier
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: 915-712-5 | CAS number: -
Eye irritation
Administrative data
- Endpoint:
- eye irritation: in vivo
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 2017
- Reliability:
- 1 (reliable without restriction)
- 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 3.4.0.17
Database version: 3.8.8/3.1.2
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
CAS: 52475-86-2
SMILES: CC(C)=CCCC1CCC(C)(C=O)CC=1
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
Please see the attached OECD [Q]SAR Toolbox report.
5. APPLICABILITY DOMAIN
The prediction is based on 7 neighbours' values, 5 of them equal to prediction.
Prediction confidence is measured by the p-value = 9.03E-13 (very strong confidence)
6. ADEQUACY OF THE RESULT
Negative for in vivo eye irritation.
Data source
Referenceopen allclose all
- Reference Type:
- publication
- Title:
- Unnamed
- Year:
- 2 007
- Reference Type:
- publication
- Title:
- Unnamed
- Year:
- 2 008
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 405 (Acute Eye Irritation / Corrosion)
Test material
- Reference substance name:
- 1-methyl-4-(4-methyl-3-pentenyl)cyclohex-3-ene-1-carbaldehyde
- EC Number:
- 257-942-2
- EC Name:
- 1-methyl-4-(4-methyl-3-pentenyl)cyclohex-3-ene-1-carbaldehyde
- Cas Number:
- 52475-86-2
- Molecular formula:
- C14H22O
- IUPAC Name:
- 1-methyl-4-(4-methylpent-3-en-1-yl)cyclohex-3-ene-1-carbaldehyde
- Reference substance name:
- 1-methyl-3-(4-methyl-3-pentenyl)cyclohex-3-ene-1-carbaldehyde
- EC Number:
- 257-941-7
- EC Name:
- 1-methyl-3-(4-methyl-3-pentenyl)cyclohex-3-ene-1-carbaldehyde
- Cas Number:
- 52474-60-9
- Molecular formula:
- C14H22O
- IUPAC Name:
- 1-methyl-3-(4-methylpent-3-en-1-yl)cyclohex-3-ene-1-carbaldehyde
Constituent 1
Constituent 2
Results and discussion
In vivo
Results
- Remarks on result:
- no indication of irritation
Applicant's summary and conclusion
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.
