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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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.

Diss Factsheets

Environmental fate & pathways

Biodegradation in water: screening tests

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Administrative data

Link to relevant study record(s)

Reference
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.

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