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: 224-815-8 | CAS number: 4501-58-0
Biodegradation in water: screening tests
Administrative data
Link to relevant study record(s)
- Endpoint:
- biodegradation in water: ready biodegradability
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- 18-11-2020
- 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
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
See attached document (information about the START Biodegradation and Persistence plug-in)
5. APPLICABILITY DOMAIN
See attached report
6. ADEQUACY OF THE RESULT
See attached report - Principles of method if other than guideline:
- QSAR study
- GLP compliance:
- no
- Oxygen conditions:
- other: not applicable
- Inoculum or test system:
- other: not applicable
- Details on inoculum:
- not applicable
- Details on study design:
- not applicable
- Parameter:
- probability of ready biodegradability (QSAR/QSPR)
- Remarks on result:
- readily biodegradable based on QSAR/QSPR prediction
- Details on results:
- The query chemical was predicted as Class 1:easily biodegradable chemical using the START Biodegradation and Persistence plug-in integrated into Toxtree.
- Validity criteria fulfilled:
- not applicable
- Interpretation of results:
- readily biodegradable
- Conclusions:
- Toxtree predicted 2-(2,2,3-trimethylcyclopent-3-en-1-yl)acetaldehyde as Class 1: easily biodegradable chemical.
- Executive summary:
Toxtree software (v3.1.0) was used to predict the ready biodegradability of 2-(2,2,3-trimethylcyclopent-3-en-1-yl)acetaldehyde.
No structural alerts for this endpoint were triggered with Toxtree using the relevant profiler: START Biodegradation and Persistence plug-in.
Based on these prediction results, 2-(2,2,3-trimethylcyclopent-3-en-1-yl)acetaldehyde was predicted as Class 1: Easily Biodegradable chemical.
Reference
Description of key information
A QSAR model was applied to predict the Ready Biodegradability of 2-(2,2,3-trimethylcyclopent-3-en-1-yl)acetaldehyde (Toxtree v3.1.0). This model predicted 2-(2,2,3-trimethylcyclopent-3-en-1-yl)acetaldehyde as Class 1: easily biodegradable chemical.
Key value for chemical safety assessment
- Biodegradation in water:
- readily biodegradable
- Type of water:
- other: Not applicable to a QSAR study
Additional information
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.
