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EC number: 816-856-0 | CAS number: 5205-01-6
- 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
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2018-08-23 to 2018-08-25 (experiment start-end)
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 018
- Report date:
- 2018
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 471 (Bacterial Reverse Mutation Assay)
- Version / remarks:
- 1997
- Qualifier:
- according to guideline
- Guideline:
- EU Method B.13/14 (Mutagenicity - Reverse Mutation Test Using Bacteria)
- Version / remarks:
- 2008
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 870.5100 - Bacterial Reverse Mutation Test (August 1998)
- Version / remarks:
- 1998
- GLP compliance:
- yes (incl. QA statement)
- Type of assay:
- bacterial reverse mutation assay
Test material
- Reference substance name:
- 3-methyl-1,3-butanediol-1-ethylate
- EC Number:
- 816-856-0
- Cas Number:
- 5205-01-6
- Molecular formula:
- C7H14O3
- IUPAC Name:
- 3-methyl-1,3-butanediol-1-ethylate
Constituent 1
- Specific details on test material used for the study:
- 3-methyl-1,3-butanediol-1-acetate
Batch number: 161121
Purity: 86.5%
Correction factor: 1.156
Expiry date: May 2019
Appearance: Colourless liquid
Storage conditions: Room temperature (15-25°C)
Method
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):
- Strains TA98, TA1535 and TA102 obtained from MOLTOX, INC., USA
Strains TA100 and TA1537 obtained from Xenometrix AG
All cell stocks stored in liquid nitrogen
- Metabolic activation:
- with and without
- Metabolic activation system:
- Male wistar rats treated orally with phenobarbital (80 mg/kg bw) and ß-naphthoflavone (100 mg/kg bw) for three days
- Test concentrations with justification for top dose:
- 0.0316, 0.100, 0.316, 1.0, 2.5 and 5.0 µL/plate
5.0 µL is the maximum volume as recommended by OECD guideline 471 (1997) - Vehicle / solvent:
- Purified water
Controls
- Untreated negative controls:
- yes
- Remarks:
- Purified water
- Negative solvent / vehicle controls:
- no
- True negative controls:
- no
- Positive controls:
- yes
- Positive control substance:
- sodium azide
- methylmethanesulfonate
- other: 4-nitro-o-phenylene-diamine (4-NOPD); 2-aminoanthracene (2-AA)
- Details on test system and experimental conditions:
- Samples of each tester strain were grown by culturing for 12 h at 37°C in Nutrient Broth to the late exponential or early stationary phase of growth (approximately 10^9 cells/mL). The nutrient medium consisted of 8g/L nutrient broth and 5 g/L sodium chloride.
A solution of 125 µL ampicillin (10 mg/mL) (TA98, TA100, TA102) was added in order to retain the phenotypic characteristics of the strain.
For the plate incorporation method 100 µL test item solution or negative or positive control, 500 µL S9 mix or S9 substitution buffer, 100 µL bacterial suspension, 2 mL overlay agar were mixed in a test tube and poured over the surface of a minimal agar plate:
For the pre-incubation method 100 µL of the test item solution or negative or positive control was pre-incubated with the tester strains (100 µL) and S9 substitution buffer or S9 mix (500 µL) for 60 minutes at 37°C prior to adding the overlay agar (2 mL) and pouring onto the surface of a minimal agar plate.
For each strain and dose level, including the controls, three plates were used. After solidification, the plates were inverted and incubated at 37 °C for at least 48 h in the dark.
The colonies were counted automatically. Tester strains with a low spontaneous mutation frequency i.e. strains TA1535 and TA1537 were counted manually. - Rationale for test conditions:
- Plate incorporation methodology was employed in Experiment 1. Since there was no evidence of any mutagenicity, Experiment 2 comprised pre-incubation methodology.
- Evaluation criteria:
- The Mutation Factor was calculated by dividing the mean value of the revertant counts by the mean values of the negative control (unrounded values).
A test item was considered as mutagenic if:
1. a clear and dose-related increase in the number of revertants occurred and/or
2. a biologically relevant positive response for at least one of the dose groups occurred
in at least one tester strain with or without metabolic activation.
A biologically relevant increase was described as a concentration related increase in revertant numbers is at least 1.5-fold (in strain TA102), 2-fold (in strains TA98 or TA100), or 3-fold (in strains TA1535 or TA1537) the concurrent vehicle control values in at least one tester strain with or without metabolic activation.
The test item is regarded as positive in this assay if all of the above criteria are met
The test item is regarded as negative in this assay if none of the above criteria are met. - Statistics:
- None, the mutation factor was used.
Results and discussion
Test resultsopen allclose all
- Species / strain:
- S. typhimurium TA 98
- Metabolic activation:
- with and without
- Genotoxicity:
- negative
- Cytotoxicity / choice of top concentrations:
- no cytotoxicity nor precipitates, but tested up to recommended limit concentrations
- Vehicle controls validity:
- not examined
- Untreated negative controls validity:
- valid
- Positive controls validity:
- valid
- Species / strain:
- S. typhimurium TA 100
- Metabolic activation:
- with and without
- Genotoxicity:
- negative
- Cytotoxicity / choice of top concentrations:
- no cytotoxicity nor precipitates, but tested up to recommended limit concentrations
- Vehicle controls validity:
- not examined
- Untreated negative controls validity:
- valid
- Positive controls validity:
- valid
- Species / strain:
- S. typhimurium TA 1535
- Metabolic activation:
- with and without
- Genotoxicity:
- negative
- Cytotoxicity / choice of top concentrations:
- no cytotoxicity nor precipitates, but tested up to recommended limit concentrations
- Vehicle controls validity:
- not examined
- Untreated negative controls validity:
- valid
- Positive controls validity:
- valid
- Species / strain:
- S. typhimurium TA 1537
- Metabolic activation:
- with and without
- Genotoxicity:
- negative
- Cytotoxicity / choice of top concentrations:
- no cytotoxicity nor precipitates, but tested up to recommended limit concentrations
- Vehicle controls validity:
- not examined
- Untreated negative controls validity:
- valid
- Positive controls validity:
- valid
- Species / strain:
- S. typhimurium TA 102
- Metabolic activation:
- with and without
- Genotoxicity:
- negative
- Cytotoxicity / choice of top concentrations:
- no cytotoxicity nor precipitates, but tested up to recommended limit concentrations
- Vehicle controls validity:
- not examined
- Untreated negative controls validity:
- valid
- Positive controls validity:
- valid
- Additional information on results:
- No precipitation of the test article was observed.
Any other information on results incl. tables
Experiment 1: Plate incorporation
Conc. µL/plate |
Number of revertant colonies/plate (mean of 3 plates(±SD)) |
|||||||||
-S9 Mix |
+S9 Mix |
|||||||||
TA98 |
TA100 |
TA1535 |
TA1537 |
TA102 |
TA98 |
TA100 |
TA1535 |
TA1537 |
TA102 |
|
0 |
21 |
85 |
9 |
13 |
238 |
30 |
87 |
9 |
12 |
297 |
(±9.0) |
(±15.7) |
(±2.0) |
(±2.1) |
(±6.0) |
(±4.0) |
(±6.7) |
(±1.2) |
(±1.0) |
(±3.0) |
|
0.0316 |
25 |
87 |
9 |
10 |
244 |
24 |
79 |
9 |
11 |
304 |
(±4.0) |
(±5.5) |
(±1.5) |
(±0.0) |
(±5.5) |
(±1.0) |
(±11.3) |
(±2.0) |
(±1.2) |
(±11.0) |
|
0.100 |
23 |
93 |
10 |
10 |
242 |
28 |
99 |
10 |
11 |
303 |
(±10.0) |
(±3.5) |
(±1.5) |
(±1.5) |
(±4.0) |
(±10.1) |
(±20.6) |
(±2.1) |
(±3.0) |
(±12.1) |
|
0.316 |
20 |
74 |
10 |
10 |
244 |
24 |
79 |
9 |
12 |
305 |
(±8.5) |
(±14.6) |
(±1.0) |
(±0.6) |
(±12.0) |
(±5.0) |
(±14.6) |
(±1.7) |
(±3.0) |
(±5.1) |
|
1.0 |
19 |
85 |
11 |
9 |
247 |
27 |
83 |
9 |
11 |
309 |
(±3.1) |
(±13.3) |
(±1.0) |
(±0.6) |
(±8.6) |
(±1.5) |
(±3.5) |
(±1.5) |
(±2.6) |
(±10.3) |
|
2.5 |
22 |
82 |
10 |
13 |
249 |
24 |
86 |
9 |
10 |
305 |
(±2.0) |
(±14.3) |
(±1.5) |
(±2.0) |
(±13.7) |
(±11.0) |
(±18.1) |
(±2.1) |
(±2.5) |
(±11.4) |
|
5.0 |
21 |
77 |
10 |
13 |
249 |
19 |
81 |
10 |
13 |
311 |
(±3.1) |
(±2.3) |
(±2.1) |
(±3.8) |
(±14.0) |
(±0.6) |
(±5.0) |
(±1.0) |
(±0.6) |
(±11.2) |
|
Positive control. |
NOPD |
NaN3 |
NaN3 |
NOPD |
MMS |
2AA |
2AA |
2AA |
2AA |
2AA |
Conc. µg/plate |
10 |
10 |
10 |
40 |
1 µL/plate |
2.5 |
2.5 |
2.5 |
2.5 |
10 |
Colonies /plate |
696 |
549 |
203 |
209 |
1101 |
2532 |
1430 |
165 |
201 |
1058 |
(±70.1) |
(±94.0) |
(±35.8) |
(±17.6) |
(±61.7) |
(±348.9) |
(±41.9) |
(±65.3) |
(±72.2) |
(±140.7) |
NOPD:4-nitro-o-phenylenediamine;
NaNs: Sodium azide; MMS:methyl
methanesulfonate;
2AA:2-aminoanthracene
Control: Purifiedwater
Experiment 2: Pre-incubation
Conc. µL/plate |
Number of revertant colonies/plate (mean of 3 plates(±SD)) |
|||||||||
-S9 Mix |
+S9 Mix |
|||||||||
TA98 |
TA100 |
TA1535 |
TA1537 |
TA102 |
TA98 |
TA100 |
TA1535 |
TA1537 |
TA102 |
|
0 |
25 |
77 |
11 |
14 |
240 |
23 |
83 |
10 |
11 |
302 |
(±2.1) |
(±5.1) |
(±1.5) |
(±1.5) |
(±13.7) |
(±2.6) |
(±3.6) |
(±3.2) |
(±1.5) |
(±8.1) |
|
0.0316 |
23 |
65 |
9 |
11 |
236 |
21 |
75 |
7 |
11 |
290 |
(±4.2) |
(±6.9) |
(±1.5) |
(±3.1) |
(±6.1) |
(±3.2) |
(±9.2) |
(±2.5) |
(±2.1) |
(±11.0) |
|
0.100 |
24 |
70 |
10 |
14 |
235 |
23 |
7.6 |
8 |
12 |
304 |
(2.6) |
(±6.5) |
(±1.0) |
(±1.0) |
(±8.1) |
(±4.0) |
(±7.2) |
(±3.2) |
(±5.9) |
(±3.6) |
|
0.316 |
23 |
71 |
9 |
13 |
239 |
23 |
74 |
9 |
15 |
304 |
(±7.6) |
(±7.8) |
(±2.5) |
(±5.2) |
(16.3) |
(±3.8) |
(±10.0) |
(±2.5) |
(±4.0) |
(±13.1) |
|
1.0 |
21 |
69 |
9 |
13 |
243 |
24 |
79 |
9 |
13 |
302 |
(±2.9) |
(±3.5) |
(±2.1) |
(±2.1) |
(5.9) |
(±4.0) |
(±6.0) |
(±2.3) |
(±1.0) |
(±7.2) |
|
2.5 |
24 |
80 |
9 |
13 |
249 |
23 |
84 |
9 |
14 |
307 |
(±1.7) |
(±1.5) |
(±1.5) |
(±1.5) |
(±10.7) |
(±9.1) |
(±6.0) |
(±2.3) |
(±3.8) |
(±9.0) |
|
5.0 |
27 |
79 |
10 |
15 |
249 |
25 |
80 |
9 |
15 |
308 |
(±9.8) |
(±3.5) |
(±0.6) |
(±1.5) |
(±5.9) |
(±4.0) |
(±4.2) |
(±1.5) |
(±1.7) |
(±8.0) |
|
Positive control. |
NOPD |
NaN3 |
NaN3 |
NOPD |
MMS |
2AA |
2AA |
2AA |
2AA |
2AA |
Conc. µg/plate |
10 |
10 |
10 |
40 |
1 µL/plate |
2.5 |
2.5 |
2.5 |
2.5 |
10 |
Colonies /plate |
261 |
448 |
235 |
196 |
1093 |
292 |
493 |
166 |
159 |
1030 |
(±8.5) |
(±22.1) |
(±33.3) |
(±23.6) |
(±30.0) |
(±17.3) |
(±61.9) |
(±11.6) |
(±19.6) |
(±141.5) |
NOPD:4-nitro-o-phenylenediamine;
NaN3: Sodium azide; MMS:methyl
methanesulfonate;
2AA:2-aminoanthracene
Control: Purified water
Applicant's summary and conclusion
- Conclusions:
- It was concluded that IPD-AC did not induce mutation in five histidine-requiring strains (TA98, TA100, TA1535, TA1537 and TA102) of Salmonella typhimurium when tested under the conditions of this test guideline (OECD 471) GLP compliant study. These conditions included treatments at concentrations up to 5.0 µL/plate (the maximum recommended concentration according to current regulatory guidelines) in the absence and in the presence of a rat liver metabolic activation system (S9), utilising plate incorporation and pre-incubation methodologies.
- Executive summary:
In order to investigate the potential of 3-Methyl-1,3-butanediol-1-acetate (IPD-AC) was assayed for mutation in five histidine-requiring strains (TA98, TA100, TA1535, TA1537 and TA102) of Salmonella typhimurium, both in the absence and presence of a metabolic activation by a phenobarbitone/ß-naphthoflavone induced rat liver post-mitochondrial fraction (S9), in two separate experiments. This study utilised both plate incorporation and pre-incubation methodologies.
All IPD-AC treatments in this study were performed using formulations prepared in purified water.
In the plate incorporation experiment I treatments, all the tester strains were performed in the absence and in the presence of S9, using final concentrations of IPD-AC at 0.0316, 0.100, 0.316, 1.0, 2.5 and 5.0 µL/plate, plus negative (vehicle) and positive controls. Following these treatments, no evidence of toxicity in any of the strains were observed in either the absence or presence of S9.
In the pre-incubation experiment II treatments, all the tester strains were performed in the absence and in the presence of S9 using the same final concentrations of IPD-AC previously. Following these treatments, no evidence of toxicity in any of the strains were observed in either the absence or presence of S9.
No precipitation was observed on the test plates up to the maximum concentration tested, in either experiment.
Negative (vehicle) and positive control treatments were included for all strains in both experiments. The mean numbers of revertant colonies all fell within acceptable ranges for negative control treatments. The positive control chemicals induced large increases in revertant numbers of =2.0-fold (in strains TA98, TA100 or TA102) or =3.0-fold (in strains TA1535 and TA1537) confirming discrimination between different strains and an active S9 preparation. The study therefore demonstrated correct strain and assay functioning and was accepted as valid.
No evidence of mutagenic activity was seen at any concentration of IPD-AC in either mutation test.
It was concluded that IPD-AC did not induce mutation in five histidine-requiring strains (TA98, TA100, TA1535, TA1537 and TA102) of Salmonella typhimurium when tested under the conditions of this study. These conditions included treatments at concentrations up to 5.0 µL/plate (the maximum recommended concentration according to current regulatory guidelines) in the absence and in the presence of a rat liver metabolic activation system (S9), utilising plate incorporation and pre-incubation methodologies.
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