3-thiohexanol
3-mercaptohexanol
Identification
| Name | 3-thiohexanol |
| IUPAC | 3-sulfanylhexan-1-ol |
| CAS Number | 51755-83-0 |
| FDA UNII | U3TIX8Z92N |
| Molecular Formula | C6 H14 O S |
| Molecular Weight | 134.24178000 |
| MDL Number | MFCD00792515 |
| Nikkaji Number | J937.257A |
Regulatory
| JECFA Food Flavoring | 545 3-mercaptohexanol |
| DG SANTE Food Flavourings | 12.217 3-mercaptohexan-1-ol |
| FEMA Number | 3850 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 51755-83-0 ; 3-MERCAPTOHEXANOL |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 98.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Boiling Point | 198.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.039000 mmHg @ 25.00 °C. (est) |
| Flash Point | 210.00 °F. TCC ( 98.89 °C. ) |
| logP (o/w) | 1.644 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Organoleptic Properties
| Odor Description |
at 0.10 % in dipropylene glycol. at 0.10 %. sulfurous, tropical fruit; savory, egg, broth
|
| Taste Description |
tropical fruit passion fruit guava grape fruit sulphurous at 0.05 - 10.00 ppm. tropical Sulfurous, Tropical Fruits, Onion, Black Currant
|
Safety Information
| Preferred SDS | View |
| 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 | flavor and fragrance agents |
| RIFM Fragrance Material Safety Assessment | Search |
| Recommendation for 3-thiohexanol usage levels up to | 0.0500 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | ND (μg/capita/day) |
| Structure Class | I |
| baked goods | 0.05000 |
| beverages(nonalcoholic) | 0.00500 |
| beverages(alcoholic) | 0.01000 |
| breakfast cereal | - |
| cheese | - |
| chewing gum | 0.05000 |
| condiments / relishes | - |
| confectionery froastings | 0.01000 |
| egg products | - |
| fats / oils | - |
| fish products | - |
| frozen dairy | 0.01000 |
| fruit ices | 0.01000 |
| gelatins / puddings | 0.01000 |
| granulated sugar | - |
| gravies | - |
| hard candy | 0.01000 |
| imitation dairy | - |
| instant coffee / tea | - |
| jams / jellies | - |
| meat products | - |
| milk products | 0.01000 |
| nut products | - |
| other grains | - |
| poultry | - |
| processed fruits | 0.01000 |
| processed vegetables | - |
| reconstituted vegetables | - |
| seasonings / flavors | - |
| snack foods | - |
| soft candy | - |
| soups | - |
| sugar substitutes | - |
| sweet sauces | - |
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