1-Propanethiol, 3-(trimethoxysilyl)-, adduct with 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane (1:1)

Genetic toxicity: in vitro

Administrative data

Endpoint:

in vitro gene mutation study in bacteria

Remarks:

Type of genotoxicity: gene mutation

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2009-06-30 to 2009-07-10

Reliability:

1 (reliable without restriction)

Cross-reference

Cross-reference 1

Reason / purpose for cross-reference:

reference to same study

Cross-reference 2

Reason / purpose for cross-reference:

reference to other study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2009

Report date:

2009

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

OECD Guideline 471 (Bacterial Reverse Mutation Assay)

Deviations:

no

Test guideline 2

Qualifier:

according to guideline

Guideline:

EU Method B.13/14 (Mutagenicity - Reverse Mutation Test Using Bacteria)

Deviations:

no

Principles of method if other than guideline:

not applicable

GLP compliance:

yes (incl. QA statement)

Type of assay:

bacterial reverse mutation assay

Test material

Test material information

Constituent 1

Reference substance name:

3,3,12,12-tetramethoxy-2,13-dioxa-7,8-dithia-3,12-disilatetradecane; 5-(7,7-dimethoxy-2-oxo-8-oxa-3-thia-1-aza-7-silanonan-1-yl)-1-[(7,7-dimethoxy-2-oxo-8-oxa-3-thia-1-aza-7-silanonan-1-yl)methyl]-1,3,3-trimethylcyclohexane; [3-({[(3-isocyanato-3,5,5-trimethylcyclohexyl)methyl]carbamoyl}sulfanyl)propyl]trimethoxysilane; [3-({[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]carbamoyl}sulfanyl)propyl]trimethoxysilane

EC Number:

700-534-0

Cas Number:

117172-56-2

Molecular formula:

Not applicable: UVCB substance, see section 1.2 and 1.4. The UVCB substance consits of differnt products consiting of differnt isomers: Product I and Product II cannot analytically be distinguished and moreover, Product I-III are expected to consist of isomers that can neither analytically be identified nor quantified.

IUPAC Name:

3,3,12,12-tetramethoxy-2,13-dioxa-7,8-dithia-3,12-disilatetradecane; 5-(7,7-dimethoxy-2-oxo-8-oxa-3-thia-1-aza-7-silanonan-1-yl)-1-[(7,7-dimethoxy-2-oxo-8-oxa-3-thia-1-aza-7-silanonan-1-yl)methyl]-1,3,3-trimethylcyclohexane; [3-({[(3-isocyanato-3,5,5-trimethylcyclohexyl)methyl]carbamoyl}sulfanyl)propyl]trimethoxysilane; [3-({[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]carbamoyl}sulfanyl)propyl]trimethoxysilane

Constituent 2

Reference substance name:

Reaction products of 3- (trimethoxysilyl)propane-1-thiol and 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane (1:1)

IUPAC Name:

Reaction products of 3- (trimethoxysilyl)propane-1-thiol and 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane (1:1)

Details on test material:

- Name of test material: Intermediate 36
- Colour: light yellow
- Physical state: liquid
- Analytical purity: >99%

Method

Target gene:

The Salmonella typhimurium histidine (his) reversion system measures his- => his+ reversions. The Salmonella typhimurium strains are constructed to differentiate between base pair (TA 1535, TA 100) and frameshift (TA 1537, TA 98) mutations. The Escherichia coli WP2 uvrA (trp) reversion system measures trp– => trp+ reversions. The Escherichia coli WP2 uvrA detect mutagens that cause other base-pair substitutions (AT to GC).

Species / strain

Species / strain 1

Species / strain / cell type:

S. typhimurium TA 1535, TA 1537, TA 98 and TA 100

Additional strain / cell type characteristics:

not specified

Species / strain 2

Species / strain / cell type:

E. coli WP2 uvr A

Additional strain / cell type characteristics:

not specified

Metabolic activation:

with and without

Metabolic activation system:

2-Aminoanthracene, 2AA

Test concentrations with justification for top dose:

The test concentrations were 5000; 2500; 1000; 316.2, 100, 31.62 and 10 µg/plate.

Controls

Untreated negative controls:

yes

Negative solvent / vehicle controls:

yes

True negative controls:

yes

Positive controls:

yes

Positive control substance:

other: different positive controls (see section "Any other information on materials and methods incl. tables" below)

Results and discussion

Test results

Test results 1

Species / strain:

S. typhimurium TA 1535, TA 1537, TA 98 and TA 100

Metabolic activation:

with and without

Genotoxicity:

negative

Cytotoxicity / choice of top concentrations:

cytotoxicity

Vehicle controls validity:

valid

Untreated negative controls validity:

valid

Positive controls validity:

valid

Test results 2

Species / strain:

E. coli WP2 uvr A

Metabolic activation:

with and without

Genotoxicity:

negative

Cytotoxicity / choice of top concentrations:

cytotoxicity

Vehicle controls validity:

valid

Untreated negative controls validity:

valid

Positive controls validity:

valid

Remarks on result:

other: all strains/cell types tested

Remarks:

Migrated from field 'Test system'.

Any other information on results incl. tables

no remarks

Applicant's summary and conclusion

Conclusions:

Interpretation of results (migrated information):
negative

The reported data of this mutagenicity assay show, that under the experi-mental conditions reported, the test item did not induce gene mutations by frameshift or base-pair substitution in the genome of the strains used. Therefore, Intermediate 36 is considered non-mutagenic in this bacterial reverse mutation assay.

Executive summary:

The reported data of this mutagenicity assay according to OECD Guideline 471 (Bacterial Reverse Mutation Assay) shows, that under the experimental conditions reported, the test item did not induce gene mutations by frameshift or base-pair substitution in the genome of the strains used. Therefore, Intermediate 36 is considered non-mutagenic in this bacterial reverse mutation assay.