Registration Dossier
Registration Dossier
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EC number: 252-917-2 | CAS number: 36211-43-5
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:
- key study
- 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
BIOWIN (EPISuite v4.11)
2. MODEL (incl. version number)
BIOWIN v4.10
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
CC(CC(=O)O)CC(C)(C)C
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
Please refer to the attached QMRF report.
5. APPLICABILITY DOMAIN
Please refer to the attached QMRF report.
6. ADEQUACY OF THE RESULT
Please refer to the attached QPRF. - Guideline:
- other: REACH Guidance on QSARs R.6
- Version / remarks:
- 2008
- Principles of method if other than guideline:
- BIOWIN v.4.10 (EPISuite) for Biodegradation
- GLP compliance:
- no
- Specific details on test material used for the study:
- Smiles notation: CC(CC(=O)O)CC(C)(C)C
- Key result
- Parameter:
- probability of ready biodegradability (QSAR/QSPR)
- Remarks on result:
- readily biodegradable based on QSAR/QSPR prediction
- Interpretation of results:
- readily biodegradable
- Conclusions:
- Based on the outcome of the model, 3,5,5-trimethylhexanoic acid is considered as readily biodegradable. The substance under concern is within the applicability domain of BIOWIN v.4.10. Thus, the prediction is fully reliable to fulfill requirements for Regulation (EC) No 1907/2006 (REACH) Annex VII section 9.2.1.1 and to replace further biodegradability screening tests.
Reference
BIOWIN v4.10 Results
Biowin1 (Linear Model Prediction): Biodegrades Fast (value: 0.5610)
Biowin2 (Non-Linear Model Prediction): Does Not Biodegrade Fast (value: 0.4211)
Biowin3 (Ultimate Biodegradation Timeframe): Weeks (value: 3.0020)
Biowin4 (Primary Biodegradation Timeframe): Days (value: 3.8516)
Biowin5 (MITI Linear Model Prediction): Readily Degradable (value: 0.5400)
Biowin6 (MITI Non-Linear Model Prediction): Readily Degradable (value: 0.5812)
Biowin7 (Anaerobic Model Prediction): Does Not Biodegrades Fast (value: 0.2565)
Ready Biodegradability Prediction: Yes
Description of key information
Based on a reliable QSAR prediction with BIOWIN (v4.10), 3,5,5-trimethylhexanoic acid is considered to be readily biodegradable.
Key value for chemical safety assessment
- Biodegradation in water:
- readily biodegradable
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.
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