4,4'-methylenebis(2,6-xylidine)

Biodegradation in water: screening tests

Link to relevant study record(s)

Reference

Endpoint:

biodegradation in water: ready biodegradability

Type of information:

(Q)SAR

Adequacy of study:

key study

Study period:

17/04/2018

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

Remarks:

QMRFs are available. No QPRF was generated as model output. Substance falls within the applicability domain of the QSARs

Justification for type of information:

1. SOFTWARE
Danish QSAR Database

2. MODEL (incl. version number)
Three individual models incorporated into Danish QSAR Database were used:
Case Ultra, SciQSAR and Leadscope

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
Nc1c(C)cc(Cc2cc(C)c(N)c(C)c2)cc1C

4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
Please refer to the attached QMRFs for each of the three QSAR models.

5. APPLICABILITY DOMAIN
The substance falls within the applicability domain of the applied models. Please refer to the attached QMRFs.

6. ADEQUACY OF THE RESULT
As the substance falls within the applicability domain of the applied models, the final prediction was considered as reliable.

Qualifier:

no guideline followed

Principles of method if other than guideline:

A battery of QSAR results derived from three different QSAR models (SciQSAR, Leadscope and Case Ultra) integrated into the Danish QSAR Database was used. Please refer to the attached QMRF reports for further information about the model development and validation approaches used for each of these models.

GLP compliance:

no

Preliminary study:

Based on the QSAR predictions from three individual models, the query substance is considered as not readily biodegradable. All the models provided the same result and the substnace falls within their applicability domains.

Key result

Remarks on result:

not readily biodegradable based on QSAR/QSPR prediction

Details on results:

Please refer to the attached prediction report from Danish QSAR Database to access the prediction results for this endpoint. (Page 4)

Leadscope = Not readily biodegradable (inside the applicability domain)

SciQSAR = Not readily biodegradable (inside the applicability domain)

Case Ultra = Not readily biodegradable (inside the applicability domain)

Battery result with Danish QSAR Database = Not readily biodegradable (inside the applicability domain)

Interpretation of results:

not readily biodegradable

Remarks:

QSAR result

Conclusions:

The query substance was predicted as not readily biodegradable using the battery prediction from three different QSAR models integrated into Danish QSAR Database.

Executive summary:

The query substance was predicted as not readily biodegradable using the battery prediction from three different QSAR models integrated into Danish QSAR Database. The substance falls within the applicability domain of all these three models. Therefore the prediction was considered as reliable.

Description of key information

The query substance was predicted as not readily biodegradable.

Key value for chemical safety assessment

Biodegradation in water:

under test conditions no biodegradation observed

Type of water:

freshwater

Additional information

The query substance was predicted as not readily biodegradable using the battery prediction from three different QSAR models integrated into Danish QSAR Database. The substance falls within the applicability domain of all these three models. Therefore the prediction was considered as reliable.