3,4-hexane dione
3,4-hexanedione
Identification
| Name | 3,4-hexane dione |
| IUPAC | hexane-3,4-dione |
| CAS Number | 4437-51-8 |
| EINECS | 224-651-7 |
| FDA UNII | 4M4NPR5VGD |
| Molecular Formula | C6 H10 O2 |
| Molecular Weight | 114.14410000 |
| MDL Number | MFCD00010237 |
| Nikkaji Number | J26.128I |
| Beilstein | 1700837 |
| CoE Number | 2255 |
Regulatory
| JECFA Food Flavoring | 413 3,4-hexanedione |
| DG SANTE Food Flavourings | 07.077 hexane-3,4-dione |
| FEMA Number | 3168 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 4437-51-8 ; 3,4-HEXANEDIONE |
Physical Properties
| Appearance | yellow clear oily liquid (est) |
| Assay | 97.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.94100 to 0.94900 @ 20.00 °C. |
| Pounds per Gallon - (est). | 7.839 to 7.906 |
| Refractive Index | 1.39900 to 1.41200 @ 20.00 °C. |
| Melting Point | -10.00 °C. @ 760.00 mm Hg |
| Boiling Point | 123.00 to 125.00 °C. @ 760.00 mm Hg, 49.00 °C. @ 13.00 mm Hg |
| Vapor Pressure | 9.907000 mmHg @ 25.00 °C. (est) |
| Vapor Density | 3.9 ( Air = 1 ) |
| Flash Point | 88.00 °F. TCC ( 31.11 °C. ) |
| logP (o/w) | -0.321 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Organoleptic Properties
| Odor Description |
at 1.00 % in dipropylene glycol. BUTTER,TOASTED,ALMOND,NUTTY,CARAMEL
|
| Taste Description |
caramel nutty buttery butter
|
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | oral-rat LD50 > 5000 mg/kg |
| Dermal Toxicity | skin-rabbit LD50 > 5000 mg/kg |
| 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 3,4-hexane dione usage levels up to | 1.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 21.00 (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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