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EC number: - | CAS number: -
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
EPI-Suite EPA (USA) and BIOWIN
2. MODEL (incl. version number)
EPI-Suite v4.11 and BIOWIN v4.10
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
Clc1ccc(c(Cl)c1C)C(=O)C(=C\NC2CC2)/C(=O)OCC
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
See QMRF in "Attached justification"
5. APPLICABILITY DOMAIN
See QPRF in "Attached justification"
6. ADEQUACY OF THE RESULT
See QPRF in "Attached justification" - Guideline:
- other: REACH Guidance on QSARs R.6
- Principles of method if other than guideline:
- - Software tool(s) used including version:
EPI-SUITE EPA (USA) v4.11 & BIOWIN v4.10
- Model(s) used: Boethling, R.S., Howard, P.H., Meylan, W., Stiteler, W., Beaumann, J., Tirado, N. 1994. Group contribution method for predicting probability and rate of aerobic biodegradation. Environ. Sci. Technol. 28:459-65.
- Model(s) used: Howard, P.H., Boethling, R.S., Stiteler, W.M., Meylan, W.M., Hueber, A.E., Beauman, J.A., Larosche, M.E. 1992. Predictive model for aerobic biodegradability developed from a file of evaluated biodegradation data. Environ. Toxicol. Chem. 11:593-603.
- Model(s) used: Tunkel, J., Howard, P.H., Boethling, R.S., Stiteler,W., Loonen, H. 2000. Predicting Ready Biodegradability in the Japanese Ministry of International Trade and Industry Test. Environ. Toxicol. Chem. 19:2478-2485.
- Model(s) used: Meylan, W., Boethling, R.S., Aronson, D., Howard, P., Tunkel, J. 2007. Chemical structure-based predictive model for methanogenic anaerobic biodegradation potential. Environ. Toxicol. Chem. 26:1785-1792.
- Model description: see field 'Attached justification'
- Justification of QSAR prediction: see field 'Attached justification' - GLP compliance:
- no
- Key result
- Parameter:
- probability of ready biodegradability (QSAR/QSPR)
- Remarks on result:
- not readily biodegradable based on QSAR/QSPR prediction
- Validity criteria fulfilled:
- not applicable
- Interpretation of results:
- not readily biodegradable
- Conclusions:
- The test item is not readily biodegradable.
- Executive summary:
The biodiegrdability of the test item was estimated using EPI-SUITE v4.11 and BIOWIN v4.10, accepted calculation method. The test item is not readily biodegradable.
Reference
Model | Value | Result |
Biowin1 (Linear Model Prediction) | 0.6093 | Biodegrades Fast |
Biowin2 (Non-Linear Model Prediction) | 0.3616 | Does Not Biodegrade Fast |
Biowin3 (Ultimate Biodegradation Timeframe) | 2.0970 | Months |
Biowin4 (Primary Biodegradation Timeframe) | 3.2048 | Weeks |
Biowin5 (MITI Linear Model Prediction) | 0.3669 | Not Readily Degradable |
Biowin6 (MITI Non-Linear Model Prediction) | 0.0314 | Not Readily Degradable |
Biowin7 (Anaerobic Model Prediction) | -0.9015 | Does Not Biodegrade Fast |
Ready Biodegradability Prediction | NO | |
Description of key information
Key study. QSAR according to REACH guidance on QSARs R.6, non GLP. The test item is not readily biodegradable.
Key value for chemical safety assessment
- Biodegradation in water:
- not biodegradable
Additional information
The biodiegrdability of the test item was estimated using EPI-SUITE v4.11 and BIOWIN v4.10, accepted calculation method. The test item is not readily biodegradable.
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