3-methyl-2-butane thiol
3-methyl-2-butanethiol
Identification
| Name | 3-methyl-2-butane thiol |
| IUPAC | (2S)-3-methylbutane-2-thiol |
| EINECS | 218-223-9 |
| FDA UNII | Search |
| Molecular Formula | C5 H12 S |
| Molecular Weight | 104.21564000 |
| MDL Number | MFCD00039648 |
| Nikkaji Number | J95.392J |
| CoE Number | 11510 |
Regulatory
| JECFA Food Flavoring | 517 3-methyl-2-butanethiol |
| DG SANTE Food Flavourings | 12.049 3-methylbutane-2-thiol |
| FEMA Number | 3304 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 2084-18-6 ; 3-METHYL-2-BUTANETHIOL |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 98.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.84100 to 0.84500 @ 20.00 °C. |
| Pounds per Gallon - (est). | 7.006 to 7.039 |
| Refractive Index | 1.44300 to 1.44700 @ 20.00 °C. |
| Boiling Point | 117.00 to 118.00 °C. @ 760.00 mm Hg, 103.00 to 104.00 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure | 36.735001 mmHg @ 25.00 °C. (est) |
| Flash Point | 60.00 °F. TCC ( 15.56 °C. ) |
| logP (o/w) | 2.658 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Organoleptic Properties
| Odor Description |
at 0.10 % in propylene glycol. at 0.10 %. meaty
|
| Taste Description |
at 0.50 ppm. meaty
|
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | gavage-rat LD50 [sex: M,F] 540 mg/kg |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | flavoring agents |
| Recommendation for 3-methyl-2-butane thiol usage levels up to | not for fragrance use. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.012 (μg/capita/day) |
| Structure Class | I |
| baked goods | - |
| beverages(nonalcoholic) | - |
| beverages(alcoholic) | - |
| breakfast cereal | - |
| cheese | - |
| chewing gum | - |
| condiments / relishes | - |
| confectionery froastings | - |
| egg products | - |
| fats / oils | - |
| fish products | - |
| frozen dairy | - |
| fruit ices | - |
| gelatins / puddings | - |
| granulated sugar | - |
| gravies | - |
| hard candy | - |
| imitation dairy | - |
| instant coffee / tea | - |
| jams / jellies | - |
| meat products | - |
| milk products | - |
| nut products | - |
| other grains | - |
| poultry | - |
| processed fruits | - |
| processed vegetables | - |
| reconstituted vegetables | - |
| seasonings / flavors | - |
| snack foods | - |
| soft candy | - |
| soups | - |
| sugar substitutes | - |
| sweet sauces | - |
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