3-mercaptopinane
bicyclo[3.1.1]heptane-3-thiol, 2,6,6-trimethyl-
Identification
| Name | 3-mercaptopinane |
| IUPAC | 2,7,7-trimethylbicyclo[3.1.1]heptane-3-thiol |
| CAS Number | 72361-41-2 |
| EINECS | 276-598-4 |
| FDA UNII | QK04RE823W |
| Molecular Formula | C10 H18 S |
| Molecular Weight | 170.31846000 |
| Nikkaji Number | J299.095D |
| CoE Number | 2332 |
Regulatory
| JECFA Food Flavoring | 520 3-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
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Boiling Point | 212.00 to 213.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.248000 mmHg @ 25.00 °C. (est) |
| Flash Point | 164.00 °F. TCC ( 73.33 °C. ) |
| logP (o/w) | 4.427 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
No sensory data available
Safety Information
| 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 | flavoring agents |
| Recommendation for 3-mercaptopinane usage levels up to | not for fragrance use. |
| 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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Exchange of knowledge
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Potential Uses
Natural Occurrence
Synonyms
bicyclo(3.1.1)heptane-3-thiol, 2,6,6-trimethyl-
bicyclo[3.1.1]heptane-3-thiol, 2,6,6-trimethyl-
2,6,6-
trimethyl bicyclo(3.1.1)heptane-3-thiol
2,6,6-
trimethylbicyclo(3.1.1)heptane-3-thiol
2,6,6-
trimethylbicyclo[3.1.1]heptane-3-thiol
2,7,7-
trimethylbicyclo[3.1.1]heptane-3-thiol
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