4-mercapto-4-methyl-2-hexanone
4-methyl-4-sulfanylhexan-2-one
Identification
| Name | 4-mercapto-4-methyl-2-hexanone |
| CAS Number | 851768-52-0 |
| FDA UNII | 78S0ASX1LS |
| Molecular Formula | C7 H14 O S |
| Molecular Weight | 146.25278000 |
Regulatory
| JECFA Food Flavoring | 1926 4-mercapto-4-methyl-2-hexanone |
| FEMA Number | 4583 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 851768-52-0 ; 4-MERCAPTO-4-METHYL-2-HEXANONE |
Physical Properties
| Appearance | colorless to pale yellow clear liquid (est) |
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.96200 to 0.96800 @ 20.00 °C. |
| Pounds per Gallon - (est). | 8.014 to 8.064 |
| Refractive Index | 1.46600 to 1.47200 @ 20.00 °C. |
| Boiling Point | 198.00 to 199.00 °C. @ 760.00 mm Hg, 80.00 to 86.00 °C. @ 22.00 mm Hg |
| Vapor Pressure | 0.353000 mmHg @ 25.00 °C. (est) |
| Flash Point | 165.00 °F. TCC ( 73.89 °C. ) |
| logP (o/w) | 1.764 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Organoleptic Properties
| Odor Description | floral fruity |
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 4-mercapto-4-methyl-2-hexanone 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 | 0.00100 |
| 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
2-
hexanone, 4-mercapto-4-methyl-
4-
mercapto-4-methylhexan-2-one
4-
methyl-4-sulfanyl hexan-2-one
4-
methyl-4-sulfanylhexan-2-one
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