(±)-ethyl 3-mercapto-2-methyl butanoate
ethyl 2-methyl-3-sulfanylbutanoate
Identification
| Name | (±)-ethyl 3-mercapto-2-methyl butanoate |
| IUPAC | ethyl 2-methyl-3-sulfanylbutanoate |
| CAS Number | 888021-82-7 |
| FDA UNII | VH5CF6RF6Q |
| Molecular Formula | C7 H14 O2 S |
| Molecular Weight | 162.25198000 |
Regulatory
| JECFA Food Flavoring | 1928 (+/-)-ethyl 3-mercapto-2-methylbutanoate |
| FEMA Number | 4392 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 888021-82-7 ; (+-)-ETHYL 3-MERCAPTO-2-METHYLBUTANOATE |
Physical Properties
| Appearance | colorless to pale yellow clear liquid (est) |
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 1.00470 to 1.00570 @ 25.00 °C. |
| Pounds per Gallon - (est). | 8.360 to 8.368 |
| Refractive Index | 1.45400 to 1.45500 @ 20.00 °C. |
| Boiling Point | 203.00 to 207.00 °C. @ 760.00 mm Hg, 40.00 to 41.00 °C. @ 1.00 mm Hg |
| Vapor Pressure | 0.271000 mmHg @ 25.00 °C. (est) |
| Flash Point | 172.00 °F. TCC ( 77.78 °C. ) (est) |
| logP (o/w) | 2.100 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Organoleptic Properties
| Odor Description | at 0.10 % in dipropylene glycol. |
Safety Information
| 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 | flavor and fragrance agents |
| RIFM Fragrance Material Safety Assessment | Search |
| Recommendation for (±)-ethyl 3-mercapto-2-methyl butanoate usage levels up to | 0.2000 % in the fragrance concentrate. |
| baked goods | 0.20000 |
| beverages(nonalcoholic) | 0.10000 |
| beverages(alcoholic) | 0.20000 |
| breakfast cereal | 0.20000 |
| cheese | - |
| chewing gum | - |
| condiments / relishes | 0.10000 |
| confectionery froastings | 0.10000 |
| egg products | - |
| fats / oils | - |
| fish products | - |
| frozen dairy | 0.10000 |
| fruit ices | - |
| gelatins / puddings | 0.10000 |
| granulated sugar | 0.20000 |
| gravies | - |
| hard candy | 0.20000 |
| imitation dairy | 0.20000 |
| instant coffee / tea | 0.20000 |
| jams / jellies | - |
| meat products | - |
| milk products | 0.10000 |
| nut products | - |
| other grains | 0.20000 |
| poultry | - |
| processed fruits | - |
| processed vegetables | 0.10000 |
| reconstituted vegetables | - |
| seasonings / flavors | 20.00000 |
| snack foods | 0.10000 |
| soft candy | 0.10000 |
| soups | - |
| sugar substitutes | 0.20000 |
| sweet sauces | - |
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Exchange of knowledge
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Potential Uses
Natural Occurrence
Synonyms
butanoic acid, 3-mercapto-2-methyl-, ethyl ester
ethyl 2-methyl-3-sulfanylbutanoate
(+/-)-
ethyl 3-mercapto-2-methylbutanoate
(±)-
ethyl 3-mercapto-2-methylbutanoate
ethyl 3-mercapto-2-methylbutanoate, (+/-)-
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