Registration Dossier

Diss Factsheets

Environmental fate & pathways

Biodegradation in water: screening tests

Currently viewing:

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) and BIOWIN

2. MODEL (incl. version number)
EPI-Suite v4.11 and BIOWIN v4.10

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
Clc1ccc(c(Cl)c1C)C(=O)C(=C\NC2CC2)/C(=O)OCC

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

5. APPLICABILITY DOMAIN
See QPRF in "Attached justification"

6. ADEQUACY OF THE RESULT
See QPRF in "Attached justification"
Guideline:
other: REACH Guidance on QSARs R.6
Principles of method if other than guideline:
- Software tool(s) used including version:
EPI-SUITE EPA (USA) v4.11 & BIOWIN v4.10
- Model(s) used: Boethling, R.S., Howard, P.H., Meylan, W., Stiteler, W., Beaumann, J., Tirado, N. 1994. Group contribution method for predicting probability and rate of aerobic biodegradation. Environ. Sci. Technol. 28:459-65.
- Model(s) used: 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.
- Model(s) used: Tunkel, J., Howard, P.H., Boethling, R.S., Stiteler,W., Loonen, H. 2000. Predicting Ready Biodegradability in the Japanese Ministry of International Trade and Industry Test. Environ. Toxicol. Chem. 19:2478-2485.
- Model(s) used: Meylan, W., Boethling, R.S., Aronson, D., Howard, P., Tunkel, J. 2007. Chemical structure-based predictive model for methanogenic anaerobic biodegradation potential. Environ. Toxicol. Chem. 26:1785-1792.
- Model description: see field 'Attached justification'
- Justification of QSAR prediction: see field 'Attached justification'
GLP compliance:
no
Key result
Parameter:
probability of ready biodegradability (QSAR/QSPR)
Remarks on result:
not readily biodegradable based on QSAR/QSPR prediction
















































Model



Value



Result



Biowin1 (Linear Model Prediction)



0.6093



Biodegrades Fast



Biowin2 (Non-Linear Model Prediction)



0.3616



Does Not Biodegrade Fast



Biowin3 (Ultimate Biodegradation Timeframe)



2.0970



Months



Biowin4 (Primary Biodegradation Timeframe)



3.2048



Weeks



Biowin5 (MITI Linear Model Prediction)



0.3669



Not Readily Degradable



Biowin6 (MITI Non-Linear Model Prediction)



0.0314



Not Readily Degradable



Biowin7 (Anaerobic Model Prediction)



-0.9015



Does Not Biodegrade Fast



Ready Biodegradability Prediction



NO


Validity criteria fulfilled:
not applicable
Interpretation of results:
not readily biodegradable
Conclusions:
The test item is not readily biodegradable.
Executive summary:

The biodiegrdability of the test item was estimated using EPI-SUITE v4.11 and BIOWIN v4.10, accepted calculation method. The test item is not readily biodegradable.

Description of key information

Key study. QSAR according to REACH guidance on QSARs R.6, non GLP. The test item is not readily biodegradable.

Key value for chemical safety assessment

Biodegradation in water:
not biodegradable

Additional information

The biodiegrdability of the test item was estimated using EPI-SUITE v4.11 and BIOWIN v4.10, accepted calculation method. The test item is not readily biodegradable.

Categories Display