diacetyl
2,3-butanedione
Identification
| Name | diacetyl |
| IUPAC | butane-2,3-dione |
| CAS Number | 431-03-8 |
| EINECS | 207-069-8 |
| FDA UNII | K324J5K4HM |
| Molecular Formula | C4 H6 O2 |
| Molecular Weight | 86.09022000 |
| MDL Number | MFCD00008756 |
| Nikkaji Number | J2.586K |
| Beilstein | 0605398 |
| CoE Number | 752 |
| XlogP3 | -1.30 (est) |
Regulatory
| FDA/DG SANTE Petitions, Reviews, Notices | 184.1278 |
| JECFA Food Flavoring | 408 diacetyl |
| DG SANTE Food Flavourings | 07.052 diacetyl |
| FEMA Number | 2370 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 431-03-8 ; DIACETYL |
| FDA Regulation | FDA PART 184 -- DIRECT FOOD SUBSTANCES AFFIRMED AS GENERALLY RECOGNIZED AS SAFE |
Physical Properties
| Appearance | yellow to yellow green clear liquid (est) |
| Assay | 98.00 to 100.00 |
| Food Chemicals Codex Listed | Yes |
| Specific Gravity | 0.97900 to 0.98500 @ 25.00 °C. |
| Pounds per Gallon - (est). | 8.146 to 8.196 |
| Refractive Index | 1.39300 to 1.39700 @ 20.00 °C. |
| Melting Point | -2.40 °C. @ 760.00 mm Hg |
| Boiling Point | 87.00 to 88.00 °C. @ 760.00 mm Hg |
| PH Number | 3.20 |
| Vapor Pressure | 56.800000 mmHg @ 25.00 °C. |
| Vapor Density | 2.9 ( Air = 1 ) |
| Flash Point | 45.00 °F. TCC ( 7.22 °C. ) |
| logP (o/w) | -1.340 |
| Soluble in | alcohol |
| Insoluble in | paraffin oil |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
Organoleptic Properties
| Odor Strength | high , |
| Substantivity | 44 hour(s) at 10.00 % in dipropylene glycol |
| Odor Description |
at 1.00 % in propylene glycol. Sweet, creamy, buttery, pungent, with a pungent caramellic nuance creamy, fat, vanilla
|
| Taste Description |
at 50.00 ppm. strong, butter in dilution
|
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Human Experience | 2 % solution: no irritation or sensitization. |
| Oral/Parenteral Toxicity | gavage-rat LD50 [sex: M,F] M:3400, F:3000 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 | flavoring agents |
| Recommendation for diacetyl usage levels up to | not for fragrance use. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 2200.00 (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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