S-prenyl thioacetate
S-(3-methylbut-2-enyl) ethanethioate
Identification
| Name | S-prenyl thioacetate |
| IUPAC | S-(3-methylbut-2-enyl) ethanethioate |
| CAS Number | 33049-93-3 |
| FDA UNII | 8UI6K2036L |
| Molecular Formula | C7 H12 O S |
| Molecular Weight | 144.23684000 |
| Nikkaji Number | J390.558F |
Regulatory
| JECFA Food Flavoring | 491 prenyl thioacetate |
| DG SANTE Food Flavourings | 12.195 S-prenyl thioacetate |
| FEMA Number | 3895 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 33049-93-3 ; PRENYL THIOACETATE |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 99.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.96400 to 0.96900 @ 25.00 °C. |
| Pounds per Gallon - (est). | 8.021 to 8.063 |
| Refractive Index | 1.49200 to 1.49700 @ 20.00 °C. |
| Boiling Point | 67.00 to 68.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 1.171000 mmHg @ 25.00 °C. (est) |
| Flash Point | 127.00 °F. TCC ( 52.78 °C. ) |
| logP (o/w) | 2.628 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
No sensory data available
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 | flavoring agents |
| Recommendation for S-prenyl thioacetate usage levels up to | not for fragrance use. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | ND (μg/capita/day) |
| Structure Class | I |
| baked goods | 0.05000 |
| beverages(nonalcoholic) | 0.00100 |
| beverages(alcoholic) | 0.00500 |
| breakfast cereal | 0.01000 |
| cheese | - |
| chewing gum | 0.05000 |
| condiments / relishes | - |
| confectionery froastings | - |
| egg products | - |
| fats / oils | - |
| fish products | - |
| frozen dairy | - |
| fruit ices | - |
| gelatins / puddings | - |
| granulated sugar | - |
| gravies | - |
| hard candy | 0.01000 |
| imitation dairy | - |
| instant coffee / tea | 0.00100 |
| jams / jellies | - |
| meat products | 0.01000 |
| milk products | 0.00500 |
| 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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Potential Uses
Natural Occurrence
Synonyms
ethanethioic acid, S-(3-methyl-2-buten-1-yl) ester
3-
methyl-2-buten-1-yl thiolacetate
3-
methyl-2-butenyl acetothioate
S-3-
methyl-2-butenyl ethane thioate
S-3-
methyl-2-butenyl ethanethioate
S-(3-
methyl-2-butenyl) acetothioate
S-(3-
methylbut-2-en-1-yl) ethanethioate
S-(3-
methylbut-2-enyl) ethanethioate
prenyl thioacetate
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