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Key value for chemical safety assessment

Genetic toxicity in vitro

Description of key information

Tne test material 2-Buten-1-ol, 2-methyl-4-( 2,2,3-trimethyl-3-cyclopenten-1-yl)-  is not likely to classify as a gene mutant in vitro.

Link to relevant study records
Reference
Endpoint:
in vitro gene mutation study in bacteria
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Data is from prediction database
Justification for type of information:
Data is from prediction database
Qualifier:
according to guideline
Guideline:
other: Prediction is done using QSAR Toolbox version 3.3
Principles of method if other than guideline:
Prediction is done using QSAR Toolbox version 3.3
GLP compliance:
no
Specific details on test material used for the study:
- Name of test material: 2-Buten-1-ol, 2-methyl-4-( 2,2,3-trimethyl-3-cyclopenten-1-yl)-
- Molecular formula: C13H22O
- Molecular weight: 194.316 g/mol
- Smiles notation: C1(C(=CC[C@@H]1C\C=C(\CO)C)C)(C)C
- Substance type: Organic
Species / strain / cell type:
S. typhimurium TA 100
Details on mammalian cell type (if applicable):
Not applicable
Additional strain / cell type characteristics:
not specified
Metabolic activation:
with
Metabolic activation system:
S9 metabolic activation system
Test concentrations with justification for top dose:
No data
Vehicle / solvent:
No data
Untreated negative controls:
not specified
Negative solvent / vehicle controls:
not specified
True negative controls:
not specified
Positive controls:
not specified
Positive control substance:
not specified
Remarks:
not specified
Details on test system and experimental conditions:
No data
Rationale for test conditions:
No data
Evaluation criteria:
No data
Statistics:
No data
Species / strain:
S. typhimurium TA 100
Metabolic activation:
with
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
Conclusions:
The test compound 2-Buten-1-ol, 2-methyl-4-( 2,2,3-trimethyl-3-cyclopenten-1-yl)- failed to increase the number of revertants in the Salmonella typhimurium strain TA100 with S9 metabolic activation system and hence is not likely to classify as a gene mutant.
Executive summary:

Gene mutation was predicted for the test compound 2-Buten-1-ol, 2-methyl-4-( 2,2,3-trimethyl-3-cyclopenten-1-yl)- using SSS QSAR prediction database, 2016. The study assumed the use of Salmonella typhimuriun strain TA100 with S9 metabolic activation system. The test compound 2-Buten-1-ol, 2-methyl-4-( 2,2,3-trimethyl-3-cyclopenten-1-yl)- failed to increase the number of revertants in the Salmonella typhimurium strain TA100 with S9 metabolic activation system and hence is not likely to classify as a gene mutant.

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

Additional information

Additional information from genetic toxicity in vitro:

Gene toxicity in vitro:

Prediction model based estimation and data from read across have been summarized to determine the mutagenic nature if the test compound :

Gene mutation was predicted for the test compound 2-Buten-1-ol, 2-methyl-4-( 2,2,3-trimethyl-3-cyclopenten-1-yl)- (CAS no 28219 -60 -5) using SSS QSAR prediction database, 2016. The study assumed the use of Salmonella typhimuriun strain TA100 with S9 metabolic activation system. The test compound 2-Buten-1-ol, 2-methyl-4-( 2,2,3-trimethyl-3-cyclopenten-1-yl)- failed to increase the number of revertants in the Salmonella typhimurium strain TA100 with S9 metabolic activation system and hence is not likely to classify as a gene mutant.

Gene mutation was predicted for the test compound 2-Buten-1-ol, 2-methyl-4-( 2,2,3-trimethyl-3-cyclopenten-1-yl)- (28219 -60 -5) using SSS QSAR prediction database, 2016. The study assumed the use of Salmonella typhimuriun strain TA102 without S9 metabolic activation system. The test compound 2-Buten-1-ol, 2-methyl-4-( 2,2,3-trimethyl-3-cyclopenten-1-yl)- failed to increase the number of revertants in the Salmonella typhimurium strain TA102 without S9 metabolic activation system and hence is not likely to classify as a gene mutant.

The gene mutation study was conducted by Siefried et al (2006) according to L5178Y TK+/-Mouse Lymphoma Mutagenicity Assay to determine the mutagenic nature of the test compound α-Terpineol (RA CAS no 98 -55 -5). The Cells at a concentration of 6 X 105/mL (6 X106cells total) were exposed for 4 h to a range of concentrations from0.14- 0.65µg/mL. The cells were then washed, resuspended in growth medium, and incubated at 37°C for 48h. The rate of cell growth was determined for each of the treated cultures and compared to the rate of growth of the solvent controls.Results were interpreted using a doubling of the mutant frequency over the concurrent solvent-treated control value as an indication of a positive effect, together with evidence of a dose-related increase. The test chemical α-Terpineol failed to induce a doubling of the mutant frequency both in the presence and absence of S9 activation system in mouse Lymphoma cell line L5178Y TK+/-3.7.C and hence is not likely to be gene mutant in vitro

Ames mutagenicity test was conducted by Seifried et al (2006) for chemical α-Terpineol (RA CAS no 98 -55 -5) to evaluate its genetoxic effects when exposed to Salmonella typhimurium strains TA98, TA100, TA1535, TA1537, and TA1538 with dose concentration of 10-1000 µg/plate in plate incorporation assay. Based on the preliminary study conducted, the test compound was used at a five dose level from 10-1000 µg/plate. The test compound α-Terpineol failed to induce mutation in the Salmonella typhimurium TA98, TA100, TA1535, TA1537, and TA1538 both in the presence and absence of S9 activation system and hence is not likely to be a gene mutant.

Mutagenicity was tested by Goncalves et al (2011) for the test compound alpha bisabolol (RA CAS no 515 -69 -5) using Salmonella typhimurium strains TA98 and TA100. The compound dissolved in ethanol was used at two concentrations of 0, 14, 28, 56, 111 or 222 µg/plate and 0, 0.9, 1.7, 3.5, 7, 14 µg/plate with and without S9 metabolic activation system. Preincubation method was followed to evaluate the results and the incubation was carried for a period of 48hrs. The test material alpha bisabolol failed to induce mutation but was cytotoxic at concentration of 0, 14, 28, 56, 111 or 222 µg/plate only in the Salmonella typhimurium strains TA98 and TA100 with and without S9 metabolic activation system and hence is not likely to classify as a gene mutant in vitro.

Based on the weight of evidence data summarized, the test chemical 2-Buten-1-ol, 2-methyl-4-( 2,2,3-trimethyl-3-cyclopenten-1-yl)- is not likely to classify as a gene mutant in vitro..

Justification for selection of genetic toxicity endpoint

Data is from prediction database

Justification for classification or non-classification

Based on the weight of evidence data summarized, the test chemical 2-Buten-1-ol, 2-methyl-4-( 2,2,3-trimethyl-3-cyclopenten-1-yl)- is not likely to classify as a gene mutant in vitro.