benzyl mercaptan
a-toluenethiol
Identification
| Name | benzyl mercaptan |
| IUPAC | phenylmethanethiol |
| CAS Number | 100-53-8 |
| EINECS | 202-862-5 |
| FDA UNII | OS34A21OBZ |
| Molecular Formula | C7 H8 S |
| Molecular Weight | 124.20576000 |
| MDL Number | MFCD00004867 |
| Nikkaji Number | J4.011H |
| Beilstein | 0605864 |
| CoE Number | 477 |
| XlogP3 | 2.40 (est) |
Regulatory
| JECFA Food Flavoring | 526 benzyl mercaptan |
| DG SANTE Food Flavourings | 12.005 phenylmethanethiol |
| FEMA Number | 2147 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 100-53-8 ; BENZYL 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 | 1.05600 to 1.06000 @ 20.00 °C. |
| Pounds per Gallon - (est). | 8.797 to 8.831 |
| Refractive Index | 1.57500 to 1.57700 @ 20.00 °C. |
| Melting Point | -30.00 °C. @ 760.00 mm Hg |
| Boiling Point | 194.00 to 195.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.591000 mmHg @ 25.00 °C. (est) |
| Vapor Density | 4.1 ( Air = 1 ) |
| Flash Point | 158.00 °F. TCC ( 70.00 °C. ) |
| logP (o/w) | 2.739 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
| Similar Items | note |
Organoleptic Properties
| Odor Description |
at 0.10 % in propylene glycol. Sharp, sulfuraceous, onion, garlic, horseradish, mint and coffee
|
| Taste Description | at 15.00 ppm. |
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | oral-rat LD50 493 mg/kg |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | inhalation-mouse LC50 178 ppm/4H |
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 benzyl mercaptan usage levels up to | not for fragrance use. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 1.20 (μg/capita/day) |
| Structure Class | II |
| baked goods | 0.50000 |
| beverages(nonalcoholic) | 0.15000 |
| beverages(alcoholic) | - |
| breakfast cereal | - |
| cheese | - |
| chewing gum | - |
| condiments / relishes | - |
| confectionery froastings | - |
| egg products | - |
| fats / oils | - |
| fish products | - |
| frozen dairy | 0.15000 |
| fruit ices | 0.15000 |
| gelatins / puddings | - |
| granulated sugar | - |
| gravies | - |
| hard candy | 0.50000 |
| 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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