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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:
other: estimated by calculation
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)

2. MODEL (incl. version number)
BIOWIN v4.10

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
SMILES: OC(=O)C(CCC=C(C)C)=C4C(CC2(C)C4CC(O)C1C3(C)CCC(O)C(C)C3CCC12C)OC(=O)(C)

4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
The QMRF is available in "Attached justification"

5. APPLICABILITY DOMAIN
The QPRF is available in "Attached justification"

6. ADEQUACY OF THE RESULT
The QPRF is available in "Attached justification"
Guideline:
other: REACH Guidance on QSARs R.6
Principles of method if other than guideline:
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.
GLP compliance:
no
Specific details on test material used for the study:
SMILES: NCCOS(=O)(=O)O
Inoculum or test system:
not specified
Details on study design:
Estimated by calculation
Key result
Parameter:
probability of ready biodegradability (QSAR/QSPR)
Remarks on result:
not readily biodegradable based on QSAR/QSPR prediction

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8342

Biowin2 (Non-Linear Model) : 0.8923

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.9117 (weeks )

Biowin4 (Primary Survey Model) : 3.6874 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4244

Biowin6 (MITI Non-Linear Model): 0.2740

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 1.0654

Ready Biodegradability Prediction: NO

Validity criteria fulfilled:
not applicable
Interpretation of results:
under test conditions no biodegradation observed
Conclusions:
The substance is predicted to be not readily biodegradable by EPI-Suite BIOWIN v4.10.
Executive summary:

The substance is predicted to be not readily biodegradable by EPI-Suite BIOWIN v4.10.

Description of key information

Key study: Internationally accepted calculation method, EPI-Suite EPA (USA). The substance is predicted to be not readily biodegradable by EPI-Suite BIOWIN v4.10.

Key value for chemical safety assessment

Biodegradation in water:
under test conditions no biodegradation observed

Additional information