prenyl mercaptan
prenylthiol
Identification
| Name | prenyl mercaptan |
| IUPAC | 3-methylbut-2-ene-1-thiol |
| CAS Number | 5287-45-6 |
| FDA UNII | FDG262156U |
| Molecular Formula | C5 H10 S |
| Molecular Weight | 102.19970000 |
| MDL Number | MFCD00068639 |
| Nikkaji Number | J534.118C |
| CoE Number | 11511 |
Regulatory
| JECFA Food Flavoring | 522 prenylthiol |
| DG SANTE Food Flavourings | 12.170 3-methylbut-2-ene-1-thiol |
| FEMA Number | 3896 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 5287-45-6 ; PRENYLTHIOL |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 98.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.88400 to 0.88500 @ 25.00 °C. |
| Pounds per Gallon - (est). | 7.356 to 7.364 |
| Refractive Index | 1.48300 to 1.49300 @ 20.00 °C. |
| Boiling Point | 128.00 to 135.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 14.359000 mmHg @ 25.00 °C. (est) |
| Flash Point | 100.00 °F. TCC ( 37.78 °C. ) |
| logP (o/w) | 2.528 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
| Similar Items | note |
Organoleptic Properties
| Odor Description |
at 0.10 % in propylene glycol. Intense leek, onion-like, skunky
|
Safety Information
| Preferred SDS | View |
| 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 prenyl mercaptan 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 | 0.01000 |
| egg products | - |
| fats / oils | - |
| fish products | - |
| frozen dairy | 0.10000 |
| fruit ices | - |
| gelatins / puddings | - |
| granulated sugar | - |
| gravies | 0.10000 |
| 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 | 0.20000 |
| snack foods | - |
| soft candy | 0.10000 |
| soups | 0.10000 |
| sugar substitutes | - |
| sweet sauces | 0.10000 |
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