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Diss Factsheets

Environmental fate & pathways

Biodegradation in water: screening tests

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Administrative data

Link to relevant study record(s)

Reference
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
Justification for type of information:
1. SOFTWARE
EPI-SUITE EPA (USA)

2. MODEL (incl. version number)
BIOWIN 4.10

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
SMILES : OC(=O)c1ccc(cc1O)C(F)(F)F

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 : OC(=O)c1ccc(cc1O)C(F)(F)F
Key result
Parameter:
probability of ready biodegradability (QSAR/QSPR)
Remarks on result:
other: Not ready biodegradable-QSAR prediction

Biowin1 (Linear Model) : 0.4217

Biowin2 (Non-Linear Model) : 0.0948

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.3750 (weeks-months)

Biowin4 (Primary Survey Model) : 3.3234 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6169

Biowin6 (MITI Non-Linear Model): 0.0000

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.8961

Ready Biodegradability Prediction: NO

Validity criteria fulfilled:
not applicable
Interpretation of results:
not readily biodegradable
Conclusions:
The substance is predicted to be not readily biodegradable (EPISUITE, BIOWIN v4.10).
Executive summary:

The substance is predicted to be not readily biodegradable (EPISUITE, 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 (EPISUITE, BIOWIN v4.10).

Key value for chemical safety assessment

Biodegradation in water:
under test conditions no biodegradation observed

Additional information