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Key value for chemical safety assessment

Genetic toxicity in vitro

Description of key information

The substance allyl acetoacetate was found to be non-genotoxic.

Link to relevant study records
Reference
Endpoint:
in vitro gene mutation study in bacteria
Remarks:
Type of genotoxicity: gene mutation
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6
Qualifier:
according to
Guideline:
other: Estimated data
Principles of method if other than guideline:
Prediction is done using QSAR Toolbox version 2.3.
GLP compliance:
no
Type of assay:
bacterial reverse mutation assay
Species / strain / cell type:
S. typhimurium TA 100
Additional strain / cell type characteristics:
not specified
Metabolic activation:
without
Metabolic activation system:
S9
Species / strain:
S. typhimurium TA 100
Metabolic activation:
without
Genotoxicity:
negative
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: all strains/cell types tested
Remarks:
Migrated from field 'Test system'.





The prediction was based on dataset comprised from the following descriptors: "Gene mutation"
Estimation method: Taking highest mode value from the 5 nearest neighbours
Domain logical expression:Result: In Domain

(("a" and "b" ) and ("c" and "d" ) )

Domain logical expression index: "a"

Similarity boundary:Target: C(=O)(CC(C)=O)OCC=C
Threshold=50%,
Dice(Atom pairs)

Domain logical expression index: "b"

Similarity boundary:Target: C(=O)(CC(C)=O)OCC=C
Threshold=80%,
Dice(Atom pairs)

Domain logical expression index: "c"

Parametric boundary:The target chemical should have a value of log Kow which is >= -0.203

Domain logical expression index: "d"

Parametric boundary:The target chemical should have a value of log Kow which is <= 0.302

Conclusions:
Interpretation of results (migrated information):
negative

Based on the prediction for in-vitro bacterial reverse mutation assay (e.g. Ames test) on S. typhimurium TA 100 without S9 metabolic activation it was estimated that allyl acetoacetate was non mutagenic.
Executive summary:

Based on the prediction for in-vitro bacterial reverse mutation assay (e.g. Ames test) on S. typhimurium TA 100 without S9 metabolic activation it was estimated that allyl acetoacetate was non mutagenic.

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

Additional information

Additional information from genetic toxicity in vitro:

According to Ames test and In vitro mammalian chromosome aberration test it was found that the substance allyl acetoacetate was non-genotoxic. The weight of evidence studies can be summarised as follows :

Sr.No

Type of genotoxicity

Type of study

Species

Metabolic Activation

Genotoxicity

Cytotoxicity

1

Gene mutation

Ames test

S. typhimurium TA 100

Without S9

negative

negative

2

Gene mutation

Ames test

S. typhimurium TA 100

Without S9

negative

negative

3

Chromosome aberration

In vitro mammalian chromosome aberration test

Chinese hamster Lung (CHL)

without S9

negative

negative

4

Gene mutation

Ames test

Salmonella Species

No data

negative

negative

5

Gene mutation

In vitro mammalian cell transformation assay

Syrian hamster embryo

No data

negative

negative

 

Justification for selection of genetic toxicity endpoint

Based on the weight of evidence appraoch and prediction for in-vitro bacterial reverse mutation assay (e.g. Ames test) on S. typhimurium TA 100 without S9 metabolic activation it was estimated that allyl acetoacetate was non mutagenic. Also, the chromosome abberation is based on the prediction for in-vitro mammalian chromosome aberration test on Chinese hamster Lung (CHL) without S9 metabolic activation, it was estimated that allyl acetoacetate does not exhibit positive chromosomal effect. The preidction from DEPA also concurs to the chemical being a negative gene toxicant.

Justification for classification or non-classification

Using various sources of information (QSAR model as well as data from DEPA) in a weight of evidence approach, it can be concluded that allyl acetoacetate is non-genotoxic.