2,3-heptane dione
2,3-heptanedione
Identification
| Name | 2,3-heptane dione |
| IUPAC | heptane-2,3-dione |
| CAS Number | 96-04-8 |
| EINECS | 202-472-5 |
| FDA UNII | DK55DDE86P |
| Molecular Formula | C7 H12 O2 |
| Molecular Weight | 128.17104000 |
| MDL Number | MFCD00036550 |
| Nikkaji Number | J97.909K |
| CoE Number | 2044 |
Regulatory
| JECFA Food Flavoring | 415 2,3-heptanedione |
| DG SANTE Food Flavourings | 07.064 heptane-2,3-dione |
| FEMA Number | 2543 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 96-04-8 ; 2,3-HEPTANEDIONE |
| FDA Regulation | FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION |
Physical Properties
| Appearance | yellow clear liquid (est) |
| Assay | 98.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Boiling Point | 64.00 °C. @ 18.00 mm Hg, 71.00 to 72.00 °C. @ 44.00 mm Hg |
| Vapor Pressure | 3.978000 mmHg @ 25.00 °C. (est) |
| Flash Point | 105.00 °F. TCC ( 40.56 °C. ) |
| logP (o/w) | 0.188 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
| Similar Items | note |
Organoleptic Properties
| Odor Description |
at 1.00 % in dipropylene glycol. Strong buttery topnotes with a fresh yogurt aroma apple; berry; butter; cheese; oily; fruity; pineapple
|
| Taste Description |
sweet dairy butter butterscotch butter rum caramel Sweet, dairy, butter notes similar to butterscotch, butter rum, and caramel
|
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | oral-rat LD50 > 5000 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']
Safety in Use
| Category | flavor and fragrance agents |
| RIFM Fragrance Material Safety Assessment | Search |
| Recommendation for 2,3-heptane dione usage levels up to | 0.0500 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.97 (μg/capita/day) |
| 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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