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Toxicological information

Genetic toxicity: in vitro

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Administrative data

Endpoint:
in vitro gene mutation study in bacteria
Remarks:
Type of genotoxicity: gene mutation
Type of information:
migrated information: read-across based on grouping of substances (category approach)
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)

Data source

Reference
Reference Type:
other company data
Title:
Unnamed
Year:
2012
Report Date:
2012

Materials and methods

Test guideline
Qualifier:
according to
Guideline:
OECD Guideline 471 (Bacterial Reverse Mutation Assay)
GLP compliance:
not specified
Type of assay:
bacterial reverse mutation assay

Test material

Reference
Name:
Unnamed
Type:
Constituent
Type:
Constituent
Type:
Constituent
Type:
Constituent
Type:
Constituent
Type:
Constituent
Details on test material:
1. Cat. member No.1: CAS number: 88-09-5 , SMILES: C(=O)(O)C(CC)CC; Chemical name: diethylacetic acid
2. Cat. member No.2: CAS number: 142-62-1, SMILES: C(=O)(O)CCCCC; Chemical name: hexanoic acid
3. Cat. member No.3: CAS number: 111-20-6, SMILES: C(=O)(O)CCCCCCCCC(=O)O; Chemical name: decanedioic acid
4. Cat. member No.4: CAS number: 111-14-8, SMILES: C(=O)(O)CCCCCC; Chemical name: heptanoic acid
5. Cat. member No.5: CAS number: 107-92-6, SMILES: C(=O)(O)CCC; Chemical name: butyric acid
6. Cat. member No.6:: CAS number: 149-57-5, SMILES: C(=O)(O)C(CCCC)CC; Chemical name: 2-ethylhexanoic acid

Results and discussion

Test results
Metabolic activation:
with and without
Genotoxicity:
negative

Any other information on results incl. tables

The prediction was based on dataset comprised from the following descriptors: "Gene mutation"
Estimation method: Takes 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"

Referential boundary: The target chemical should be classified as Carboxylic acid by Organic functional groups ONLY

Domain logical expression index: "b"

Referential boundary: The target chemical should be classified as Discrete chemical by Substance Type

Domain logical expression index: "c"

Parametric boundary:The target chemical should have a value of log Kow which is >= 1.07

Domain logical expression index: "d"

Parametric boundary:The target chemical should have a value of log Kow which is <= 2.54

Applicant's summary and conclusion

Conclusions:
Interpretation of results (migrated information):
negative

The substance is expected to be not mutagenic in bacteria (Ames test) with and without metabolic activation, based on the results of a structure-activity analysis obtained with the OECD Toolbox.
Executive summary:

The substance is expected to be not mutagenic in bacteria (Ames test) with and without metabolic activation, based on the results of a structure-activity analysis obtained with the OECD Toolbox.