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EC number: 603-440-7 | CAS number: 13081-18-0
Biodegradation in water: screening tests
Administrative data
- Endpoint:
- biodegradation in water: ready biodegradability
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- Migrated phrase: estimated by calculation
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Data is from computational model developed by USEPA
Data source
Reference
- Reference Type:
- other: Prediction model
- Title:
- Biodegradation in water by EPI (Estimation Programs Interface) Suite
- Author:
- Sustainability Support Service (Europe) AB - estimated
- Year:
- 2 016
- Bibliographic source:
- Estimation Programs Interface Suite™ United States Environmental Protection Agency, Washington, DC, USA. version 4.1
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other: Modeling database
- Principles of method if other than guideline:
- The Biodegradation Probability Program (BIOWIN) estimates the probability for the rapid aerobic biodegradation of an organic chemical in the presence of mixed populations of environmental microorganisms .The model is part of the EpiSuite program of the US-EPA. Estimations are made with BIOWIN version 4.10Estimates are based upon fragment constants that were developed using multiple linear and non-linear regression analyses. Experimental biodegradation data for the multiple linear and non-linear regressions were obtained from Syracuse Research Corporation's (SRC) data base of evaluated biodegradation data (Howard et. al., 1987). This version (v4.10) designates the models as follows (see also Boethling et al. 2003):
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 - GLP compliance:
- no
Test material
- Reference substance name:
- ethyl 3,3,3-trifluoro-2-oxopropanoate
- EC Number:
- 603-440-7
- Cas Number:
- 13081-18-0
- Molecular formula:
- C5H5F3O3
- IUPAC Name:
- ethyl 3,3,3-trifluoro-2-oxopropanoate
- Details on test material:
- - Name of test material (as cited in study report): Ethyl 3,3,3-trifluoropyruvate
- Molecular formula: C5H5F3O3
- Molecular weight: 170.08 g/mol
- Smiles notation: C(F)(F)(F)C(=O)C(=O)OCC
- Substance type: Organic
- Physical state: liquid
Constituent 1
Study design
- Oxygen conditions:
- other: aerobic (Biowin 1-6) and anaerobic (Biowin 7)
- Inoculum or test system:
- other: mixed populations of environmental microorganisms
- Details on inoculum:
- no data
- Details on study design:
- Using the computer tool BIOWIN v4.10 by US-EPA (EPIWIN) the aerobic as well as the anaerobic biodegradability of the test material can be estimated. The follwoing seven different models are used by the tool: Linear Model, Non-Linear Model, Ultimate Biodegradation Timeframe, Primary Biodegradation Timeframe, MITI LInear Model, MITI Non-Linear Model and Anaerobic Model (calles Biowin 1-7, respectively). Due to this results the overall prediction of readily biodegradability is done for the desired chemical.
Results and discussion
% Degradation
- Parameter:
- other: half life
- Value:
- 50
- Remarks on result:
- other: other details not available
- Details on results:
- - BIOWIN 1 - linear biodegradation prediction: 0.3203: Does NOT Biodegrade Fast
- BIOWIN 2 - non-linear biodegradation prediction: 0.2696: Does NOT Biodegrade Fast
CRITERIA: A Probability Greater Than or Equal to 0.5 indicates --> Biodegrades Fast
CRITERIA: A Probability Less than 0.5 indicates --> Does NOT Biodegrade Fast
- BIOWIN 3 - survey model ultimate biodegradation timeframe: 2.4505 Weeks
- BIOWIN 4 - survey model primary biodegradation timeframe: 3.5569 Days
CRITERIA: Result Classification: 5.00 -> hours 4.00 -> days 3.00 -> weeks
(Primary & Ultimate) 2.00 -> months 1.00 -> longer
- BIOWIN 5 - MITI linear biodegradation prediction: 0.6518: Biodegrade Fast
- BIOWIN 6 - MITI non-linear biodegradation prediction: 0.0000: Does Not Biodegrade Fast
CRITERIA: A Probability Greater Than or Equal to 0.5 indicates --> Readily Degradable
A Probability Less Than 0.5 indicates --> NOT Readily Degradable
- BIOWIN 7 - Anaerobic Linear biodegradation prediction: 0.9544: Does Not Biodegrade Fast
CRITERIA: A Probability Greater Than or Equal to 0.5 indicates --> Biodegrades Fast
A Probability Less Than 0.5 indicates --> Does NOT Biodegrade Fast
Ready Biodegradability Prediction: NO
Criteria for the YES or NO prediction: 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 (see Help). Biowin5 and 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.
Any other information on results incl. tables
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.3203
Biowin2 (Non‐Linear Model) : 0.2696
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.4505 (weeks‐months)
Biowin4 (Primary Survey Model) : 3.5569 (days‐weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.6518
Biowin6 (MITI Non‐Linear Model): 0.0000
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.9544
Ready Biodegradability Prediction: NO
Applicant's summary and conclusion
- Validity criteria fulfilled:
- not specified
- Interpretation of results:
- other: Not readily biodegradable
- Conclusions:
- The screening test to the biodegradability of the substance was calculated using the software BIOWIN v4.10.The results indicate that Ethyl 3,3,3-trifluoropyruvate is not readily biodegradable.
- Executive summary:
The screening test to the biodegradability of the substance was calculated using the software BIOWIN v4.10.The results indicate that Ethyl 3,3,3-trifluoropyruvate is not readily biodegradable.
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