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EC number: 257-913-4 | CAS number: 52434-90-9
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
- Remarks:
- Internationally accepted method, EPI-Suite, EPA (USA)
- Justification for type of information:
- SOFTWARE: EPI-Suite v4.11 (BIOWIN v4.10)
SMILES USED AS INPUT FOR THE MODEL: C1(=O)N(CC(Br)CBr)C(=O)N(CC(Br)CBr)C(=O)N1CC(Br)CBr
BIOWIN estimates the probability of rapid aerobic and anaerobic biodegradation of an organic compound in the presence of mixed populations of environmental microorganisms.
BIOWIN contains seven separate models. This version (v4.10) designates the models as follows:
- Biowin1 = Linear probability model
- Biowin2 = Nonlinear probability model
- Biowin3 = Expert survey ultimate biodegradation model
- Biowin4 = Expert survey primary biodegradation model
- Biowin5 = MITI linear model
- Biowin6 = MITI nonlinear model
- Biowin7 = Anaerobic biodegradation model - Qualifier:
- according to guideline
- Guideline:
- other: REACH Guidance on QSARs R.6
- Parameter:
- probability of ready biodegradability (QSAR/QSPR)
- Remarks:
- BIOWIN 1 (Linear Biodegradation Probability)
- Value:
- 0.124
- Remarks on result:
- not readily biodegradable based on QSAR/QSPR prediction
- Parameter:
- probability of ready biodegradability (QSAR/QSPR)
- Remarks:
- BIOWIN 2 (Non-linear Biodegradation Probability)
- Value:
- 0
- Remarks on result:
- not readily biodegradable based on QSAR/QSPR prediction
- Parameter:
- calculated rating of total degradation time (QSAR/QSPR)
- Remarks:
- BIOWIN 3 (Ultimate Biodegradation)
- Value:
- 1.762
- Remarks on result:
- other: Result from QSAR prediction: months
- Parameter:
- calculated rating of total degradation time (QSAR/QSPR)
- Remarks:
- BIOWIN 4 (Primary Biodegradation)
- Value:
- 3.009
- Remarks on result:
- other: Result from QSAR prediction: weeks
- Parameter:
- probability of ready biodegradability (QSAR/QSPR)
- Remarks:
- BIOWIN 5 (MITI Linear Biodegradation Probability)
- Value:
- -0.731
- Remarks on result:
- not readily biodegradable based on QSAR/QSPR prediction
- Parameter:
- probability of ready biodegradability (QSAR/QSPR)
- Remarks:
- BIOWIN 6 (MITI Non-Linear Biodegradation Probability)
- Value:
- 0
- Remarks on result:
- not readily biodegradable based on QSAR/QSPR prediction
- Validity criteria fulfilled:
- not applicable
- Interpretation of results:
- not readily biodegradable
- Conclusions:
- The substance AP 729 is predicted to be not readily biodegradable by EPI-Suite (BIOWIN v4.10).
- Executive summary:
The ready biodegradability of AP 729 has been predicted using the EPI-Suite (v4.11) BIOWIN v4.10 models. All seven models agree in predicting the substance as not readily biodegradable.
Reference
Biowin1 (Linear Model Prediction): Does Not Biodegrade Fast
Biowin2 (Non-Linear Model Prediction): Does Not Biodegrade Fast
Biowin3 (Ultimate Biodegradation Timeframe): Months
Biowin4 (Primary Biodegradation Timeframe): Weeks
Biowin5 (MITI Linear Model Prediction): Does Not Biodegrade Fast
Biowin6 (MITI Non-Linear Model Prediction): Does Not Biodegrade Fast
Biowin7 (Anaerobic Model Prediction): Biodegrades Fast
Ready Biodegradability Prediction: NO
If the Biowin3 (ultimate survey model) result is "weeks" or faster (i.e. "days", "days to weeks", or "weeks") AND the Biowin5 (MITI linear model) probability is >= 0.5, then the prediction is YES (readily biodegradable). If this condition is not satisfied, the prediction is NO (not readily biodegradable). This method is based on application of Bayesian analysis to ready biodegradation data.
Biowin5 and Biowin 6 also predict ready biodegradability, but for degradation in the OECD301C test only; using data from the Chemicals Evaluation and Research Institute Japan (CERIJ) database.
Description of key information
The ready biodegradability of AP 729 has been predicted using the EPI-Suite (v4.11) BIOWIN v4.10 models. All seven models agree in predicting the substance as not readily biodegradable.
Key value for chemical safety assessment
- Biodegradation in water:
- not biodegradable
Additional information
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