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EC number: 939-525-3 | CAS number: 1471313-03-7
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
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:
- 30 November - 08 December 2000
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: GLP study conducted according to OECD Guideline 471 without deviations.
Cross-referenceopen allclose all
- Reason / purpose for cross-reference:
- reference to same study
- Reason / purpose for cross-reference:
- reference to other study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 001
- Report date:
- 2001
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 471 (Bacterial Reverse Mutation Assay)
- 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
- Reference substance name:
- 3-methyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pentan-2-ol; 6-(2,2,3-trimethylcyclopent-3-en-1-yl)hexan-3-ol
- EC Number:
- 939-525-3
- Cas Number:
- 1471313-03-7
- Molecular formula:
- C14H26O
- IUPAC Name:
- 3-methyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pentan-2-ol; 6-(2,2,3-trimethylcyclopent-3-en-1-yl)hexan-3-ol
- Details on test material:
- - Name of test material (as cited in study report): Sandalore
- Physical state: Colourless liquid
- Analytical purity: sum of C14H16O isomers 92.6 %
- Lot/batch No.: 9000399614
- Expiration date of the lot/batch: 30 September 2002
- Storage condition of test material: Approximately 4 °C
Constituent 1
Method
- Target gene:
- His+ for S. typhimurium
Species / strain
- Species / strain / cell type:
- S. typhimurium TA 1535, TA 1537, TA 98, TA 100 and TA 102
- Details on mammalian cell type (if applicable):
- Not applicable
- Additional strain / cell type characteristics:
- other: see table 7.6.1/1
- Metabolic activation:
- with and without
- Metabolic activation system:
- 15 % (v/v) S9 mix; S9 fraction prepared from liver homogenates of male Wistar Hanlbm rats induced with phenobarbital (80 mg/kg bw, intraperitoneal route) and β-Naphthoflavone (oral route)
- Test concentrations with justification for top dose:
- Pre-experiment for toxicity: 3, 10, 33, 100, 333, 1000, 2500 and 5000 µg/plate, with and without S9 mix in TA 98 and TA 100 strains (plate incorporation and pre-incubation methods)
Main experiment (with and without S9 mix):
Experiment 1 (plate incorporation method) and Experiment 2 (pre-incubation method):
- 33, 100, 333, 1000, 2500 and 5000 µg/plate in TA 98 and TA 100 strains
- 3, 10, 33, 100, 333 and 1000 µg/plate in TA 1535 and TA 1537 strains
- 10, 33, 100, 333, 1000 and 2500 µg/plate in TA 102 strain - Vehicle / solvent:
- - Vehicle(s)/solvent(s) used: DMSO
- Purity: > 99 %
- Source: MERCK, Darmstadt, Germany
- Justification for choice of solvent/vehicle: DMSO was chosen as solvent because of its solubility properties and its relative non-toxicity to the bacteria.
- Formulation procedure: On the day of experiment, the test item was dissolved in the vehicle.
Controlsopen allclose all
- Untreated negative controls:
- yes
- Remarks:
- untreated control
- Negative solvent / vehicle controls:
- yes
- Remarks:
- DMSO
- True negative controls:
- no
- Positive controls:
- yes
- Positive control substance:
- other: sodium azide (10 µg/plate in TA 100 and TA 1535); 4-nitro-o-phenylene-diamine (10 µg/plate in TA 98 and 50 µg/plate in TA 1537); methyl methane sulfonate (5 µL/plate in TA 102)
- Remarks:
- without metabolic activation
- Untreated negative controls:
- yes
- Remarks:
- untreated control
- Negative solvent / vehicle controls:
- yes
- Remarks:
- DMSO
- True negative controls:
- no
- Positive controls:
- yes
- Positive control substance:
- other: 2-aminoanthracene (2.5 µg/plate in TA 100, TA 1535, TA 1537 and TA 98; 10 µg/plate in TA 102)
- Remarks:
- with metabolic activation
- Details on test system and experimental conditions:
- SOURCE OF TEST SYSTEM:
- TA 1535, TA 1537, TA 100 and TA 102 strains: Ames' Laboratory (University of California, Berkeley, USA)
- TA 98 strain: von E. Merck (Darmstadt, Germany)
METHOD OF APPLICATION: In agar (plate incorporation and preincubation method)
DURATION
- Preincubation period: 60 minutes at 37 °C
- Incubation period: 48 h at 37 °C for both plate incorporation and preincubation methods
NUMBER OF REPLICATIONS: 3 plates/dose
DETERMINATION OF CYTOTOXICITY
- Method: Evaluation of the toxicity was performed on the basis of the observation of the decrease in the number of spontaneous revertants or a clearing of the bacterial background lawn.
OTHER:
- Colonies were counted using the AUTOCOUNT (Artek Systems Corporation, BIOSYS GmbH, Karben, Germany)
- Pre-experiment was reported as part of the main experiment 1. - Evaluation criteria:
- - Test item is considered positive if either a dose related increase in the number of revertants or a biologically relevant increase for at least one test concentration is induced.
- Test item producing neither a dose related increase in the number of revertants nor a biologically relevant positive response at anyone of the test points is considered non-mutagenic in this system.
Biologically relevant response is described as follows:
- Test item is considered mutagenic if the number of reversions is at least twice the spontaneous reversion rate in strains TA 98, TA 100, and TA 102 or thrice in strains TA 1535 and TA 1537.
- Also, a dose-dependent and reproducible increase in the number of revertants is regarded as an indication of possibly existing mutagenic potential of the test item regardless whether the highest dose induced the criteria described above or not. - Statistics:
- None
Results and discussion
Test results
- Species / strain:
- S. typhimurium TA 1535, TA 1537, TA 98, TA 100 and TA 102
- 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
- Additional information on results:
- TEST-SPECIFIC CONFOUNDING FACTORS
- Precipitation: No precipitation of the test item occurred up to 5000 µg/plate
RANGE-FINDING/SCREENING STUDIES:
- Toxic effects were evident as the reduction of number of revertant colonies with the test item compared to vehicle control.
- Plates with the test item showed normal background growth up to 5000 µg/plate in strain TA 98 and TA 100.
COMPARISON WITH HISTORICAL CONTROL DATA:
- Results were compared with historical control data (generated since 1995)
ADDITIONAL INFORMATION ON CYTOTOXICITY:
Toxic effects, evident as a reduction in the number of revertants were observed at the following concentrations:
Experiment 1:
- Without S9 mix: 333 and 1000 µg/plate (TA 1535 and TA 1537), 5000 µg/plate (TA 98), 100-5000 µg/plate (TA 100), 2500 µg/plate (TA 102)
- With S9 mix: 1000 µg/plate (TA 1537), 5000 µg/plate (TA 98), 333-5000 µg/plate (TA 100), 2500 µg/plate (TA 102)
Experiment 2:
- Without S9 mix: 333 and 1000 µg/plate (TA 1535), 100-1000 µg/plate (TA 1537), 5000 µg/plate (TA 98), 100-5000 µg/plate (TA 100)
- With S9 mix: 333 and 1000 µg/plate (TA 1537), 333-5000 µg/plate (TA 100)
- In experiment 1, a reduction in the number of revertants was also observed without S9 mix in strain TA 1535 at 33 µg/plate and in strain TA 1537 at 10 µg/plate. This reduction is judged to be based upon statistical fluctuations at such low numbers of bacteria and does not represent a true toxic effect.
- Plates incubated with the test item showed normal background growth up to the highest concentration with and without S9 mix in all strains used. - Remarks on result:
- other: all strains/cell types tested
- Remarks:
- Migrated from field 'Test system'.
Any other information on results incl. tables
Table 7.6.1/2: Summary of results – without S9 mix
Concentration (µg/plate) |
Mean number of revertants per plate in Experiment 1 and 2 |
|||||||||
TA 1535 |
TA 1537 |
TA 98 |
TA 100 |
TA 102 |
||||||
1 |
2 |
1 |
2 |
1 |
2 |
1 |
2 |
1 |
2 |
|
Negative control |
10 |
10 |
6 |
8 |
19 |
21 |
104 |
135 |
134 |
174 |
Solvent control |
12 |
9 |
6 |
7 |
22 |
24 |
103 |
114 |
131 |
170 |
Positive control# |
581 |
611 |
49 |
49 |
180 |
226 |
703 |
746 |
706 |
363 |
3 |
6 |
9 |
4 |
6 |
- |
- |
- |
- |
- |
- |
10 |
5 |
7 |
1 |
5 |
- |
- |
- |
- |
88 |
170 |
33 |
5 |
7 |
4 |
4 |
12 |
20 |
66 |
66 |
110 |
152 |
100 |
6 |
8 |
4 |
2 |
11 |
19 |
47 |
40 |
113 |
145 |
333 |
4 |
4 |
2 |
1 |
8 |
19 |
39 |
37 |
80 |
145 |
1000 |
3 |
0 |
1 |
0 |
14 |
16 |
17 |
35 |
74 |
130 |
2500 |
- |
- |
- |
- |
17 |
17 |
11 |
26 |
66 |
105 |
5000 |
- |
- |
- |
- |
10 |
11 |
7 |
24 |
- |
- |
# Sodium azide (10.0 µg/plate) strains TA 1535 and TA 100
4-nitro-o-phenylene-diamine strains TA 1537 (50 µg/plate) and TA 98 (10.0 µg/plate)
Methyl methane sulfonate (5 µg/plate) strain TA 102
Table 7.6.1/3: Summary of results – with S9 mix
Concentration (µg/plate) |
Mean number of revertants per plate in Experiment 1 and 2 |
|||||||||
TA 1535 |
TA 1537 |
TA 98 |
TA 100 |
TA 102 |
||||||
1 |
2 |
1 |
2 |
1 |
2 |
1 |
2 |
1 |
2 |
|
Negative control |
10 |
9 |
6 |
6 |
40 |
40 |
121 |
112 |
217 |
297 |
Solvent control |
10 |
13 |
6 |
6 |
44 |
34 |
131 |
120 |
195 |
258 |
Positive control* |
473 |
99 |
83 |
100 |
627 |
432 |
800 |
560 |
759 |
764 |
3 |
10 |
9 |
5 |
5 |
- |
- |
- |
- |
- |
- |
10 |
7 |
8 |
6 |
4 |
- |
- |
- |
- |
146 |
263 |
33 |
10 |
13 |
5 |
5 |
39 |
34 |
121 |
114 |
189 |
282 |
100 |
9 |
7 |
5 |
4 |
38 |
32 |
95 |
93 |
170 |
255 |
333 |
7 |
8 |
3 |
2 |
30 |
28 |
48 |
57 |
186 |
226 |
1000 |
6 |
8 |
0 |
0 |
35 |
32 |
28 |
34 |
172 |
191 |
2500 |
- |
- |
- |
- |
26 |
23 |
22 |
11 |
107 |
157 |
5000 |
- |
- |
- |
- |
19 |
23 |
17 |
12 |
- |
- |
*2-aminoanthracene (2.5 µg/plate) strains TA 1535, TA 1537, TA 98 and TA 100
2-aminoanthracene (10.0 µg/plate) strain TA 102
Applicant's summary and conclusion
- Conclusions:
- Interpretation of results (migrated information):
negative with metabolic activation
negative without metabolic activation
Under the test conditions, the substance is not considered as mutagenic in S. typhimurium strains (TA 1535, TA 1537, TA 98, TA 100 and TA 102). - Executive summary:
In a reverse gene mutation assay in bacteria, performed according to the OECD Guideline 471 and in compliance with GLP, strains of Salmonella typhimurium (TA 1535, TA 1537, TA 98, TA 100 and TA 102) were exposed to the substance at the following concentrations:
Pre-experiment for toxicity: 3, 10, 33, 100, 333, 1000, 2500 and 5000 µg/plate, with and without S9 mix in TA 98 and TA 100 strains (plate incorporation and pre-incubation methods)
Main experiment (with and without S9 mix): Experiment 1 (plate incorporation method) and Experiment 2 (pre-incubation method):
- 33, 100, 333, 1000, 2500 and 5000 µg/plate in TA 98 and TA 100 strains
- 3, 10, 33, 100, 333 and 1000 µg/plate in TA 1535 and TA 1537 strains
- 10, 33, 100, 333, 1000 and 2500 µg/plate in TA 102 strain
Metabolic activation system used in this test was 15 % (v/v) S9 mix. S9 fraction were prepared from liver homogenates of male Wistar Hanlbm rats induced with phenobarbital (80 mg/kg bw, intraperitoneal route) and β-Naphthoflavone (oral route). Negative (untreated), vehicle and positive control groups were also included in this test.
Test substance did not induce precipitation. Toxic effects, evident as a reduction in the number of revertants, were observed with and without metabolic activation in all strains used. The negative, vehicle and positive controls induced the appropriate responses in the corresponding strains. The test item showed no substantial increases in revertant colony numbers over control count obtained with any of the tester strains at any concentrations in either presence or absence of S9 mix.
Under the test conditions, the substance is not considered as mutagenic in this bacterial system.
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