methyl 2-(methyl thio) butyrate
methyl 2-(methylthio) butyrate
Identification
| Name | methyl 2-(methyl thio) butyrate |
| IUPAC | methyl (2S)-2-methylsulfanylbutanoate |
| FDA UNII | Search |
| Molecular Formula | C6 H12 O S |
| Molecular Weight | 132.22584000 |
| MDL Number | MFCD00013393 |
| Nikkaji Number | J578.936B |
| Beilstein | 1925141 |
Regulatory
| FEMA Number | 3708 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 99.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.94400 to 0.95200 @ 25.00 °C. |
| Pounds per Gallon - (est). | 7.855 to 7.922 |
| Refractive Index | 1.45700 to 1.46300 @ 20.00 °C. |
| Boiling Point | 149.00 to 151.00 °C. @ 760.00 mm Hg |
| Acid Value | 1.00 max. KOH/g |
| Vapor Pressure | 1.112000 mmHg @ 25.00 °C. (est) |
| Vapor Density | 4.6 ( Air = 1 ) |
| Flash Point | 91.00 °F. TCC ( 32.78 °C. ) |
| logP (o/w) | 1.701 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Organoleptic Properties
| Odor Description | at 0.10 % in dipropylene glycol. |
| Taste Description | sulfury savory eggy vegetable onion fruity tropical |
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | gavage-rat LD50 [sex: M,F] 2108 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 methyl 2-(methyl thio) butyrate usage levels up to | not for fragrance use. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.097 (μg/capita/day) |
| Structure Class | II |
| 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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