coffee dione
1-methyl-2,3-cyclohexadione
Identification
| Name | coffee dione |
| IUPAC | (3S)-3-methylcyclohexane-1,2-dione |
| EINECS | 221-122-2 |
| FDA UNII | Search |
| Molecular Formula | C7 H10 O2 |
| Molecular Weight | 126.15510000 |
| MDL Number | MFCD00209518 |
| Nikkaji Number | J205.304G |
| CoE Number | 2311 |
Regulatory
| JECFA Food Flavoring | 425 1-methyl-2,3-cyclohexadione |
| DG SANTE Food Flavourings | 07.080 3-methylcyclohexane-1,2-dione |
| FEMA Number | 3305 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 3008-43-3 ; 1-METHYL-2,3-CYCLOHEXADIONE |
Physical Properties
| Appearance | white to pale yellow solid (est) |
| Assay | 98.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Melting Point | 57.00 to 63.00 °C. @ 760.00 mm Hg |
| Boiling Point | 69.00 to 72.00 °C. @ 1.00 mm Hg |
| Vapor Pressure | 0.321000 mmHg @ 25.00 °C. (est) |
| Flash Point | > 212.00 °F. TCC ( > 100.00 °C. ) |
| logP (o/w) | 0.787 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
Organoleptic Properties
| Odor Description | at 1.00 % in dipropylene glycol. |
| Taste Description | coffee caramellic |
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 coffee dione usage levels up to | 0.2000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 1.30 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 8.00 (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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