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EC number: 800-991-7 | CAS number: 1427388-03-1
Does not biodegrade fast
Not readily biodegradable
Biowin Fragment description
Amide [-C(=O)-N or -C(=S)-N]
Carbon with 4 single bonds & no hydrogens
Aromatic ether [-O-aromatic carbon]
Aliphatic ether [C-O-C]
QPRF:BIOWIN v4.10(11 09 2014)
See “Test material identity”
Date of QPRF
See “Data Source (Reference)”
QPRF author and contact details
(OECD Principle 1)
(OECD Principle 2)
Model or submodel name
Predicted value (model result)
See “Results and discussion”
Input for prediction
- Chemical structure via SMILES code
- MITI Linear Model Prediction
- Correction factors
(OECD principle 3)
1) Molecular weight
(range of test data set: 30.02 to 959.2 g/mol; On-Line BIOWIN User’s Guide, Ch. 7 Domain)
Substance within range (948.05 g/mol)
2) Correction factors: Number of instances of the identified correction factor does not exceed the maximum number as listed in Appendix D (On-Line BIOWIN User’s Guide)
Aliphatic ether is present in higher number than in the training set.Not fulfilled.
However, the results are considered reliable.
The uncertainty of the prediction
(OECD principle 4)
Statistical accuracy for training dataset:
n = 295, R2= 0.895
n = 295, R2= 0.932
n = 200, R2= 0.72
n = 200, R2= 0.71
n = 589, R2= 0.823
n = 589, R2= 0.829
n = 169, R2= 0.899
The chemical mechanisms according to the model underpinning the predicted result
(OECD principle 5)
Biowin 1 and 2: A journal article describing the development and methodology has been published (Howard et al., 1992).
Biowin 3 and 4: These two models estimate the time required for "complete" ultimate and primary biodegradation
Biowin 5 and 6 are a predictive model for assessing a compound’s biodegradability in the Japanese MITI (Ministry of International Trade and Industry) ready biodegradation test: i.e. OECD 301C. A journal article giving a complete description of the MITI biodegradation models has been published (Tunkel et al. 2000).
Biowin7 estimates the probability of fast biodegradation under methanogenic anaerobic conditions; specifically, under the conditions of the "serum bottle" anaerobic biodegradation screening test.
More information is included in the online BIOWIN’s user guide.
- US EPA (2012). On-Line BIOWIN User’s Guide.
Assessment of estimation domain (molecular weight, fragments, correction factors):
Appendix D. Fragment Coefficients for biodegradation model
Occurrence: max per structure
No. of instances
of each bond
found for the
Biowin 1-2/Biowin 3-4/Biowin 5-6/Biowin 7
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