mango thiol
2,3 or 10-mercaptopinane
Identification
| Name | mango thiol |
| IUPAC | 2,7,7-trimethylbicyclo[3.1.1]heptane-2-thiol |
| CAS Number | 23832-18-0 |
| EINECS | 245-900-6 |
| FDA UNII | X21X7U473C |
| Molecular Formula | C10 H18 S |
| Molecular Weight | 170.31846000 |
| MDL Number | MFCD00213571 |
| Nikkaji Number | J50.533A |
| Beilstein | 4952941 |
| CoE Number | 2332 |
Regulatory
| JECFA Food Flavoring | 520 2,3 or 10-mercaptopinane |
| DG SANTE Food Flavourings | 12.035 2-,3- and 10-mercaptopinane |
| FEMA Number | 3503 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 977136-05-2 ; 2,3 OR 10-MERCAPTOPINANE |
Physical Properties
| Appearance | colorless to pale yellow clear liquid (est) |
| Assay | 95.00 to 100.00 sum of isomers |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.98000 to 0.98800 @ 25.00 °C. |
| Pounds per Gallon - (est). | 8.155 to 8.221 |
| Refractive Index | 1.51100 to 1.51700 @ 20.00 °C. |
| Boiling Point | 142.00 °C. @ 20.00 mm Hg, 258.00 to 259.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.320000 mmHg @ 25.00 °C. (est) |
| Vapor Density | 5.8 ( Air = 1 ) |
| Flash Point | 208.00 °F. TCC ( 97.78 °C. ) |
| logP (o/w) | 4.272 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Organoleptic Properties
| Odor Description |
at 0.10 % in dipropylene glycol. Sulfureous, green, tropical, terpy and weedy, cooling, berry and seedy, buchu-like grapefruit; citrus; sulfurous
|
| Taste Description |
Sulfureous, metallic, tropical, woody, fresh, green, cooling sulfury metallic tropical woody fresh green cooling
|
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | intravenous-mouse LD50 100 mg/kg |
| 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', 'U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00420']
Safety in Use
| Category | flavor and fragrance agents |
| RIFM Fragrance Material Safety Assessment | Search |
| Recommendation for mango thiol usage levels up to | 0.0500 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.037 (μg/capita/day) |
| Structure Class | II |
| 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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