2-methylvaleric acid

Genetic toxicity: in vitro

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

Guideline:

OECD Guideline 471 (Bacterial Reverse Mutation Assay)

GLP compliance:

not specified

Type of assay:

bacterial reverse mutation assay

Test material

Test material information

Constituent 1

Reference substance name:

2-ethylbutyric acid

EC Number:

201-796-4

EC Name:

2-ethylbutyric acid

Cas Number:

88-09-5

Molecular formula:

C6H12O2

IUPAC Name:

2-ethylbutanoic acid

Constituent 2

Constituent 3

Reference substance name:

Sebacic acid

EC Number:

203-845-5

EC Name:

Sebacic acid

Cas Number:

111-20-6

Molecular formula:

C10H18O4

IUPAC Name:

sebacic acid

Constituent 4

Reference substance name:

Heptanoic acid

EC Number:

203-838-7

EC Name:

Heptanoic acid

Cas Number:

111-14-8

IUPAC Name:

heptanoic acid

Constituent 5

Reference substance name:

Butyric acid

EC Number:

203-532-3

EC Name:

Butyric acid

Cas Number:

107-92-6

Molecular formula:

C4H8O2

IUPAC Name:

butyric acid

Constituent 6

Reference substance name:

2-ethylhexanoic acid

EC Number:

205-743-6

EC Name:

2-ethylhexanoic acid

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.