Registration Dossier

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:
Internationally accepted calculation method EPI-SUITE EPA(USA)
1. SOFTWARE
EPI-SUITE EPA (USA)

2. MODEL (incl. version number)
BIOWIN v 4.10

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
SMILES : Cc1cc(C(C#N)c2ccc(Cl)cc2)c(Cl)cc1N

4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
APPLICABILITY DOMAIN
The QPRF 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:
SMILE:Cc1cc(C(C#N)c2ccc(Cl)cc2)c(Cl)cc1N
Key result
Parameter:
probability of ready biodegradability (QSAR/QSPR)
Remarks on result:
other: Not ready biodegradable-QSAR prediction

Biowin1 (Linear Model) : 0.3720

Biowin2 (Non-Linear Model) : 0.1367

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 1.8503 (months )

Biowin4 (Primary Survey Model) : 2.8548 (weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : -0.1468

Biowin6 (MITI Non-Linear Model): 0.0024

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -1.1575

Ready Biodegradability Prediction: NO

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, BIOWINN v4.10).

Key value for chemical safety assessment

Biodegradation in water:
under test conditions no biodegradation observed

Additional information

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