allyl thiopropionate
propanethioic acid, S-2-propenyl ester
Identification
| Name | allyl thiopropionate |
| IUPAC | S-prop-2-enyl propanethioate |
| CAS Number | 41820-22-8 |
| FDA UNII | 95HUD1BW6G |
| Molecular Formula | C6 H10 O S |
| Molecular Weight | 130.20990000 |
| MDL Number | MFCD00209497 |
| Nikkaji Number | J1.539.211H |
| CoE Number | 11436 |
Regulatory
| JECFA Food Flavoring | 490 allyl thiopropionate |
| DG SANTE Food Flavourings | 12.101 allyl thiopropionate |
| FEMA Number | 3329 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 41820-22-8 ; ALLYL THIOPROPIONATE |
Physical Properties
| Appearance | colorless to pale yellow clear liquid (est) |
| Assay | 83.00 to 100.00 |
| Additional Assay Information | + 15% diallyl sulfide |
| Water Content | <0.4 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.89800 to 0.90200 @ 25.00 °C. |
| Pounds per Gallon - (est). | 7.472 to 7.506 |
| Refractive Index | 1.47500 to 1.48500 @ 20.00 °C. |
| Boiling Point | 150.00 to 151.00 °C. @ 760.00 mm Hg |
| Acid Value | 1.00 max. KOH/g |
| Vapor Pressure | 3.667000 mmHg @ 25.00 °C. (est) |
| Flash Point | 119.00 °F. TCC ( 48.33 °C. ) |
| logP (o/w) | 2.089 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
| Similar Items | note |
Organoleptic Properties
| Odor Description |
at 0.10 % in propylene glycol. Fresh onion garlic-like with green gassy nuances Garlic, Grass, Green, Onion
|
| Taste Description | at 5.00 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 |
| IFRA Purity Specification | < 0.1% free allyl alcohol |
| Recommendation for allyl thiopropionate usage levels up to | not for fragrance use. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | ND (μg/capita/day) |
| Structure Class | I |
| 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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