propyl mercaptan
propanethiol
Identification
| Name | propyl mercaptan |
| IUPAC | propane-1-thiol |
| CAS Number | 107-03-9 |
| EINECS | 203-455-5 |
| FDA UNII | 4AB0N08V2H |
| Molecular Formula | C3 H8 S |
| Molecular Weight | 76.16176000 |
| MDL Number | MFCD00004900 |
| Nikkaji Number | J4.046K |
| Beilstein | 1696860 |
| CoE Number | 11816 |
| XlogP3 | 1.80 (est) |
Regulatory
| JECFA Food Flavoring | 509 propanethiol |
| DG SANTE Food Flavourings | 12.071 propane-1-thiol |
| FEMA Number | 3521 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 107-03-9 ; PROPYL MERCAPTAN |
| FDA Regulation | FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION |
Physical Properties
| Appearance | colorless to pale yellow clear liquid (est) |
| Assay | 98.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.84200 to 0.84700 @ 25.00 °C. |
| Pounds per Gallon - (est). | 7.006 to 7.048 |
| Refractive Index | 1.43600 to 1.43900 @ 20.00 °C. |
| Melting Point | -113.00 to -111.00 °C. @ 760.00 mm Hg |
| Boiling Point | 67.00 to 68.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 155.584000 mmHg @ 25.00 °C. (est) |
| Vapor Density | 2.54 ( Air = 1 ) |
| Flash Point | -4.00 °F. TCC ( -20.00 °C. ) |
| logP (o/w) | 1.810 |
| Soluble in | alcohol |
| Insoluble in | water |
| Similar Items | note |
Organoleptic Properties
| Odor Strength | very high , |
| Substantivity | 8 hour(s) at 100.00 % |
| Odor Description | at 0.10 % in propylene glycol. |
| Taste Description | alliaceous fresh meaty onion sulfurous |
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | gavage-rat LD50 1790 mg/kg |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | inhalation-rat LC50 7300 ppm/4H |
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 |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 2.20 (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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