Registration Dossier

Environmental fate & pathways

Biodegradation in water: screening tests

Administrative data

Endpoint:
biodegradation in water: ready biodegradability
Type of information:
(Q)SAR
Adequacy of study:
key study
Study period:
19 April 2018
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model, but not (completely) falling into its applicability domain, with adequate and reliable documentation / justification
Justification for type of information:
See enclosed QMRF and Study report

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2018
Report Date:
2018

Materials and methods

Test guideline
Qualifier:
according to
Guideline:
other: ECHA Guidance on QSAR R.6
Principles of method if other than guideline:
Danish QSAR database is able to predict the ready biodegradability using a battery of three QSAR prediction models – Case Ultra, SciQSAR and Leadscope
Ready Biodegradability relevant profilers were applied using OECD QSAR Toolbox v4.2 to identify if any structural alerts were triggered for the query chemical:
• Biodeg BioHC half-life (Biowin)
• Biodegradation primary (Biowin 4)
• Biodegradation probability (Biowin 1)
• Biodegradation probability (Biowin 2)
• Biodegradation probability (Biowin 5)
• Biodegradation probability (Biowin 6)
• Biodegradation probability (Biowin 7)
• Biodegradation ultimate (Biowin 3)
GLP compliance:
no

Test material

Reference
Name:
Unnamed
Type:
Constituent
Type:
Constituent
Type:
Constituent
Test material form:
not specified
Details on test material:
QSAR on pure substance chemical structure and degradation products 2-chlorobenzaldehyde and Malononitrile
Specific details on test material used for the study:
QSAR model applied to (2-chlorobenzylidene)malononitrile and two degradation products (2-chlorobenzaldehyde and malononitrile).

Results and discussion

% Degradation
Key result
Remarks on result:
not readily biodegradable based on QSAR/QSPR prediction

Applicant's summary and conclusion

Validity criteria fulfilled:
yes
Interpretation of results:
not readily biodegradable
Conclusions:
Based on the results derived using QSAR models and structural alert tools for the parent substance and its two degradation products, (2-chlorobenzylidene)malononitrile was predicted as non-readily biodegradable.
Executive summary:

Based on the results derived using QSAR models ( Danish QSAR database models – Case Ultra, SciQSAR and Leadscope) and structural alert tools (OECD Toolbox v4.2 - BIOWIN 1 to 7 models) for the parent substance and two degradation products, (2-chlorobenzylidene)malononitrile was predicted as non-readily biodegradable.