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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Administrative data

Key value for chemical safety assessment

Genetic toxicity in vitro

Link to relevant study records

Referenceopen allclose all

Endpoint:
in vitro gene mutation study in bacteria
Remarks:
Type of genotoxicity: gene mutation
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:
QSAR prediction: migrated from IUCLID 5.6
Principles of method if other than guideline:
TIMES AMES model predictions and Toolbox read-across analyses
GLP compliance:
no
Type of assay:
bacterial reverse mutation assay
Species / strain:
not specified
Metabolic activation:
not specified
Genotoxicity:
negative
Remarks:
QSAR prediction
Cytotoxicity / choice of top concentrations:
not specified
Vehicle controls validity:
not specified
Untreated negative controls validity:
not specified
Positive controls validity:
not specified
Remarks on result:
other: other: QSAR
Remarks:
Migrated from field 'Test system'.

Based on the experimental data for structural analogues, TIMES AMES model predictions and Toolbox read-across analyses, the UVCB 2-Propenenitrile, reaction products with 1,3-benzenedimethanamine is ultimately predicted as in vitro Ames negative, i.e. not capable of eliciting mutagenicity.

Conclusions:
Interpretation of results (migrated information):
negative Not classified as mutagen.

Not classified as mutagen.
Executive summary:

Based on the experimental data for structural analogues, TIMES AMES model predictions and Toolbox read-across analyses, theUVCB2-Propenenitrile, reaction products with 1,3-benzenedimethanamineis ultimately predicted as in vitro Ames negative, i.e. not capable of eliciting mutagenicity.

Endpoint:
in vitro cytogenicity / chromosome aberration study in mammalian cells
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:
QSAR
Qualifier:
no guideline followed
Version / remarks:
It is a QSAR report.
Principles of method if other than guideline:
QSAR report
GLP compliance:
no
Key result
Species / strain:
not specified
Remarks:
QSAR
Metabolic activation:
not specified
Genotoxicity:
negative
Remarks:
NOT CLASTOGENIC, being predicted negative for in vitro clastogenicity as chromosome aberration in CHL and CHO cells.
Cytotoxicity / choice of top concentrations:
not specified
Remarks:
not specified in the QSAR
Conclusions:
The computational toxicology assessment based on QSAR methodology predicted 2-Propenenitrile, reaction products with 1,3-benzenedimethanamine as NOT CLASTOGENIC, being predicted negative for in vitro clastogenicity as chromosome aberration in CHL and CHO cells. The prediction was assessed as moderate reliable.
Executive summary:

The computational toxicology assessment based on QSAR methodology predicted 2-Propenenitrile, reaction products with 1,3-benzenedimethanamine as NOT CLASTOGENIC, being predicted negative for in vitro clastogenicity as chromosome aberration in CHL and CHO cells. The prediction was assessed as moderate reliable.

Endpoint conclusion
Endpoint conclusion:
no adverse effect observed (negative)

Genetic toxicity in vivo

Endpoint conclusion
Endpoint conclusion:
no adverse effect observed (negative)

Additional information

Additional information from genetic toxicity in vitro:

·        in vitro AMES mutagenicity

Based on the experimental data for structural analogues, TIMES AMES model predictions and Toolbox read-across analyses, theUVCB2-Propenenitrile, reaction products with 1,3-benzenedimethanamineis ultimately predicted as in vitro Ames negative, i.e. not capable of eliciting mutagenicity.

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The computational toxicology assessment based on QSAR methodology predicted 2-Propenenitrile, reaction products with 1,3-benzenedimethanamine as NOT CLASTOGENIC, being predicted negative for in vitro clastogenicity as chromosome aberration in CHL and CHO cells. The prediction was assessed as moderate reliable.


Justification for classification or non-classification

       in vitroAMES mutagenicity

Based on the experimental data for structural analogues, TIMES AMES model predictions and Toolbox read-across analyses, theUVCB2-Propenenitrile, reaction products with 1,3-benzenedimethanamineis ultimately predicted as in vitro Ames negative, i.e. not capable of eliciting mutagenicity.

The computational toxicology assessment based on QSAR methodology predicted 2-Propenenitrile, reaction products with 1,3-benzenedimethanamine as NOT CLASTOGENIC, being predicted negative for in vitro clastogenicity as chromosome aberration in CHL and CHO cells. The prediction was assessed as moderate reliable.