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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:
key study
Reliability:
1 (reliable without restriction)
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
BIOWIN v 1.68 (EPI Suite 2011)

2. MODEL (incl. version number)
BIOWIN v 1.68 including
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

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
CAS No.
SMILES: O=C(O)C=Cc(cccc1)c1

4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
Please see QMRF attached

5. APPLICABILITY DOMAIN
Please see QMRF and QPRF attached

6. ADEQUACY OF THE RESULT
The numerical results obtained via the seven models used are assessed by the Biowin model as resulting in a prediction of ready biodegradability. The substance falls within the applicability domain of the seven models, and as the prediction from all seven models predicts that the substance is readily biodegradable it is concerned that this is acceptable to use this for the purposes of classification and labelling.
Guideline:
other: REACH Guidance on QSARS R.6
Specific details on test material used for the study:
SMILES: O=C(O)C=Cc(cccc1)c1
Key result
Parameter:
probability of ready biodegradability (QSAR/QSPR)
Remarks on result:
readily biodegradable based on QSAR/QSPR prediction
Details on results:
Ready biodegradability prediction based on results of seven separate models. The results were as follows:
Biowin1 (Linear Model) : 0.8778
Biowin2 (Non-Linear Model) : 0.9660
Biowin3 (Ultimate Survey Model): 3.2584 (days-weeks)
Biowin4 (Primary Survey Model) : 4.0244 (days)
Biowin5 (MITI Linear Model) : 0.5060
Biowin6 (MITI Non-Linear Model): 0.5102
Biowin7 (Anaerobic Linear Model): 0.6168
Validity criteria fulfilled:
yes
Interpretation of results:
readily biodegradable
Conclusions:
BIOWIN predicts that the substance is readily biodegradable.
Executive summary:

Ready biodegradability was assessed using BIOWIN v4.10 program (US EPA 2011). BIOWIN is part of EPI Suite v4.1 and may be downloaded from http://www.epa.gov/oppt/exposure/pubs/episuite.htm. The models within the BIOWIN software predicted that the software would be readily biodegradable.

Description of key information

Assessment of biodegradation in water was made using a QSAR.

Key value for chemical safety assessment

Biodegradation in water:
readily biodegradable
Type of water:
freshwater

Additional information