methyl thiomethyl butyrate
methylthiomethyl butyrate
Identification
| Name | methyl thiomethyl butyrate |
| IUPAC | methylsulfanylmethyl butanoate |
| CAS Number | 74758-93-3 |
| EINECS | 277-989-2 |
| FDA UNII | 9PF86RKU3Z |
| Molecular Formula | C6 H12 O2 S |
| Molecular Weight | 148.22504000 |
| Nikkaji Number | J349.458F |
| CoE Number | 12187 |
Regulatory
| JECFA Food Flavoring | 473 methylthiomethyl butyrate |
| DG SANTE Food Flavourings | 12.187 methylthiomethyl butyrate |
| FEMA Number | 3879 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 74758-93-3 ; METHYLTHIOMETHYL BUTYRATE |
Physical Properties
| Appearance | colorless to pale yellow clear liquid (est) |
| Assay | 97.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.94300 to 0.94800 @ 25.00 °C. |
| Pounds per Gallon - (est). | 7.847 to 7.888 |
| Refractive Index | 1.45400 to 1.46400 @ 20.00 °C. |
| Boiling Point | 182.00 to 183.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.818000 mmHg @ 25.00 °C. (est) |
| Flash Point | 155.00 °F. TCC ( 68.33 °C. ) |
| logP (o/w) | 1.885 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Organoleptic Properties
| Odor Description |
at 0.10 % in propylene glycol. Sulfureous, musty, onion, savory, fruity and tropical with vegetative nuances
|
| Taste Description | at 2.00 ppm. |
Safety Information
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | Not determined |
| 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 thiomethyl butyrate usage levels up to | not for fragrance use. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | ND (μg/capita/day) |
| Structure Class | I |
| baked goods | 1.00000 |
| 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 | 1.00000 |
| hard candy | - |
| imitation dairy | - |
| instant coffee / tea | - |
| jams / jellies | - |
| meat products | 1.00000 |
| milk products | - |
| nut products | - |
| other grains | - |
| poultry | - |
| processed fruits | - |
| processed vegetables | 0.50000 |
| reconstituted vegetables | - |
| seasonings / flavors | 500.00000 |
| snack foods | - |
| soft candy | - |
| soups | 1.00000 |
| sugar substitutes | - |
| sweet sauces | - |
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Potential Uses
Natural Occurrence
Synonyms
butanoic acid, (methylthio)methyl ester
methyl 2-methyl thiobutyrate
methyl thio) methyl butyrate
((
methyl thio)methyl) butyrate
methyl thiomethyl) butyrate
methylsulfanyl)methyl butyrate
methylsulfanylmethyl butanoate
methylthio)methyl butyrate
((
methylthio)methyl)butyrate
methylthio)methylbutyrate
methylthiomethyl butyrate
methylthiomethyl)butyrate
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