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Environmental fate & pathways

Biodegradation in water: screening tests

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Reference
Endpoint:
biodegradation in water: ready biodegradability
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: QSAR calculation, acceptable with restrictions
Justification for type of information:
1. SOFTWARE: EPI Suite TM - EPIWEB 4.11

2. MODEL: BIOWIN V4.10

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL: O=C1OC(=O)c2ccc(cc12)Oc3cc4c(cc3)C(=O)OC4(=O)
Principles of method if other than guideline:
Biowin v4.10 in EPISuite 4 (2009). 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. Estimates are based upon fragment constants that were developed using multiple linear and non-linear regression analyses.
GLP compliance:
no
Remarks:
Not applicable
Specific details on test material used for the study:
SMILES : O=C1OC(=O)c2ccc(cc12)Oc3cc4c(cc3)C(=O)OC4(=O)


Oxygen conditions:
aerobic
Inoculum or test system:
other: Not applicable
Details on inoculum:
Not applicable
Details on study design:
Not applicable
Preliminary study:
Not applicable
Test performance:
Not applicable
Remarks on result:
other: QSAR predicted value and results can be found in the "details on results" field
Details on results:
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.7318 (Biodegrades fast)
Biowin2 (Non-Linear Model) : 0.7010 (Biodegrades fast)
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model) : 2.4555 (weeks-months)
Biowin4 (Primary Survey Model) : 3.4773 (days-weeks)
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.0338 (Not readily Degradable)
Biowin6 (MITI Non-Linear Model) : 0.0123 (Not readily Biodegradable)
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model) : 0.4115 (Does not Biodegrade Fast)
Ready Biodegradability Prediction : NO
Results with reference substance:
Not applicable

BIOWIN predicted that the test substance is not readily biodegradable.

Validity criteria fulfilled:
not applicable
Remarks:
QSAR
Interpretation of results:
not readily biodegradable
Conclusions:
The results of BIOWin predictions indicate that the test substance is not readily biodegradable
Executive summary:

The use of a QSAR to predict the biodegradability of the test substance and the use of Biowin is an appropriate technique to use as the test substance falls within the applicability domain of the model.

Description of key information

The results of BIOWin predictions indicate that the test substance is not readily biodegradable.

Key value for chemical safety assessment

Biodegradation in water:
under test conditions no biodegradation observed

Additional information

Biowin v4.10 in EPISuite 4 (2009). 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. Estimates are based upon fragment constants that were developed using multiple linear and non-linear regression analyses.