butyl mercaptan
1-butanethiol
Identification
| Name | butyl mercaptan |
| IUPAC | butane-1-thiol |
| CAS Number | 109-79-5 |
| EINECS | 203-705-3 |
| FDA UNII | 77OY909F30 |
| Molecular Formula | C4 H10 S |
| Molecular Weight | 90.18870000 |
| MDL Number | MFCD00004905 |
| Nikkaji Number | J1.970D |
| Beilstein | 1730908 |
| CoE Number | 526 |
| XlogP3 | 2.30 (est) |
Regulatory
| JECFA Food Flavoring | 511 1-butanethiol |
| DG SANTE Food Flavourings | 12.010 butane-1-thiol |
| FEMA Number | 3478 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 109-79-5 ; 1-BUTANETHIOL |
Physical Properties
| Appearance | colorless to pale yellow clear liquid (est) |
| Assay | 98.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.83800 to 0.84800 @ 25.00 °C. |
| Pounds per Gallon - (est). | 6.973 to 7.056 |
| Refractive Index | 1.43600 to 1.44600 @ 20.00 °C. |
| Melting Point | -116.00 °C. @ 760.00 mm Hg |
| Boiling Point | 98.50 °C. @ 760.00 mm Hg |
| Vapor Pressure | 45.500000 mmHg @ 25.00 °C. |
| Vapor Density | 3.1 ( Air = 1 ) |
| Flash Point | 55.00 °F. TCC ( 12.78 °C. ) |
| logP (o/w) | 2.280 |
| Soluble in | oils, slightly |
| Similar Items | note |
Organoleptic Properties
| Odor Description |
at 0.10 % in propylene glycol. Sulfureous, fatty, stewed beef, sauteed onion, egg, coffee and garlic alliaceous (onion, garlic)
|
| Taste Description | at 1.00 ppm. |
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | gavage-rat LD50 1500 mg/kg |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | inhalation-rat LC50 4020 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 butyl mercaptan usage levels up to | not for fragrance use. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.39 (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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