isopropyl mercaptan
2-propanethiol
Identification
| Name | isopropyl mercaptan |
| IUPAC | propane-2-thiol |
| CAS Number | 75-33-2 |
| EINECS | 200-861-4 |
| FDA UNII | E52LR62ETC |
| Molecular Formula | C3 H8 S |
| Molecular Weight | 76.16176000 |
| MDL Number | MFCD00004863 |
| Nikkaji Number | J2.390F |
| Beilstein | 0605260 |
| CoE Number | 11565 |
Regulatory
| JECFA Food Flavoring | 510 2-propanethiol |
| DG SANTE Food Flavourings | 12.197 propane-2-thiol |
| FEMA Number | 3897 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 75-33-2 ; 2-PROPANETHIOL |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 98.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.81400 to 0.81900 @ 25.00 °C. |
| Pounds per Gallon - (est). | 6.773 to 6.815 |
| Refractive Index | 1.42800 to 1.43400 @ 20.00 °C. |
| Melting Point | -131.00 °C. @ 760.00 mm Hg |
| Boiling Point | 57.00 to 60.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 245.815994 mmHg @ 25.00 °C. (est) |
| Vapor Density | 2.6 ( Air = 1 ) |
| Flash Point | -29.00 °F. TCC ( -33.89 °C. ) |
| logP (o/w) | 1.795 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
| Similar Items | note |
Organoleptic Properties
| Odor Strength | very high , |
| Substantivity | 9 hour(s) at 100.00 % |
| Odor Description |
at 0.10 % in propylene glycol. at 0.01 % in ethyl alcohol.
|
| Odor sample from | Sigma-Aldrich |
| Taste Description | at 50.00 - 500.00 ppm. |
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | Not determined |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | inhalation-mouse LC50 130000 mg/m3/1H |
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 isopropyl 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 | 0.10000 |
| beverages(nonalcoholic) | 0.10000 |
| beverages(alcoholic) | - |
| breakfast cereal | 0.10000 |
| cheese | - |
| chewing gum | - |
| condiments / relishes | - |
| confectionery froastings | - |
| egg products | - |
| fats / oils | - |
| fish products | - |
| frozen dairy | 0.10000 |
| fruit ices | - |
| gelatins / puddings | - |
| granulated sugar | - |
| gravies | 0.10000 |
| hard candy | - |
| imitation dairy | - |
| instant coffee / tea | - |
| jams / jellies | - |
| meat products | 0.10000 |
| milk products | 0.10000 |
| nut products | - |
| other grains | - |
| poultry | - |
| processed fruits | - |
| processed vegetables | - |
| reconstituted vegetables | - |
| seasonings / flavors | 20.00000 |
| snack foods | - |
| soft candy | 0.10000 |
| soups | 0.10000 |
| sugar substitutes | - |
| sweet sauces | 0.10000 |
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