Registration Dossier

Ecotoxicological information

Toxicity to aquatic algae and cyanobacteria

Administrative data

Endpoint:
toxicity to aquatic algae and cyanobacteria
Type of information:
(Q)SAR
Adequacy of study:
key study
Study period:
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:
QMRF and study report enclosed
The query chemical and one of its degradation product (Malononitrile) falls within the applicability domain of both the models (SciQSAR and Leadscope) and therefore also that of the battery model. The other degradation product (2-chlorobenzaldehyde) did not fall into applicatibility domain.

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 QSARs R6
Principles of method if other than guideline:
SciMatics SciQSAR version 2.3.0.0.12.
GLP compliance:
not specified

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 on pure substance chemical structure and degradation products 2-chlorobenzaldehyde and Malononitrile

Results and discussion

Effect concentrations
Key result
Duration:
72 h
Dose descriptor:
EC50
Effect conc.:
ca. 1.663 mg/L
Conc. based on:
test mat.
Basis for effect:
not specified

Applicant's summary and conclusion

Validity criteria fulfilled:
yes
Conclusions:
Based on the evaluation made using multiple tools to predict the acute aquatic toxicity to algae of (2 -chlorobenzylidene) malononitrile, the predicted Pseudokirchneriella s. 72h EC50 value of 1.663 mg/L derived from SciQSAR model integrated into the Danish QSAR Database.
Executive summary:

Based on the evaluation made using multiple tools to predict the acute aquatic toxicity to algae of (2 -chlorobenzylidene) malononitrile, the predicted Pseudokirchneriella s. 72h EC50 value of 1.663 mg/L derived from SciQSAR model integrated into the Danish QSAR Database was considered as the most appropriate by KREATiS. The query substance falls within the applicability domain of the SciQSAR model and

there is a QMRF report also available readily for this model thus there is adequate information to hint the reliability in the validity of the model as well as reliability in the predicted value. The value predicted using ECOSAR was not retained due to lack of clear information about the training set data as well as an unclear applicability domain of the model.