| 3,4-Hexanedione Basic information |
| Product Name: | 3,4-Hexanedione |
| Synonyms: | 3,4-HEXANEDIONE;3,4-DIOXOHEXANE;3,4-Hexandion;HEXANDION 3,4;DIPROPIONYL;DIETHYL-ALPHA, BETA-DI-KETONE;Bipropionyl;3 4-HEXANEDIONE 90+% |
| CAS: | 4437-51-8 |
| MF: | C6H10O2 |
| MW: | 114.14 |
| EINECS: | 224-651-7 |
| Product Categories: | C3 to C6;Carbonyl Compounds;Ketones;Building Blocks;C3 to C6;Carbonyl Compounds;Chemical Synthesis;Organic Building Blocks;Alphabetical Listings;Flavors and Fragrances;G-H;ketone Flavor;Organics;Industrial/Fine Chemicals |
| Mol File: | 4437-51-8.mol |
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| 3,4-Hexanedione Chemical Properties |
| Melting point | -10 °C |
| Boiling point | 131 °C (lit.) |
| density | 0.939 g/mL at 25 °C (lit.) |
| refractive index | n20/D 1.41(lit.) |
| FEMA | 3168 | 3,4-HEXANEDIONE |
| Fp | 88 °F |
| storage temp. | Sealed in dry,2-8°C |
| form | Liquid |
| color | Clear yellow |
| Odor | at 1.00 % in dipropylene glycol. buttery toasted almond nutty caramellic |
| Odor Type | buttery |
| Water Solubility | 127 g/L (20 ºC) |
| JECFA Number | 413 |
| BRN | 1700837 |
| LogP | -0.27 |
| CAS DataBase Reference | 4437-51-8(CAS DataBase Reference) |
| NIST Chemistry Reference | 3,4-Hexanedione(4437-51-8) |
| EPA Substance Registry System | 3,4-Hexanedione (4437-51-8) |
| Safety Information |
| Hazard Codes | Xn |
| Risk Statements | 10-36/38-20 |
| Safety Statements | 23-24/25-37/39-26-16 |
| RIDADR | UN 1224 3/PG 3 |
| WGK Germany | 1 |
| TSCA | Yes |
| HazardClass | 3 |
| PackingGroup | III |
| HS Code | 29141900 |
| Provider | Language |
|---|---|
| 3,4-Hexanedione | English |
| SigmaAldrich | English |
| ACROS | English |
| ALFA | English |
| 3,4-Hexanedione Usage And Synthesis |
| Description | 3,4-Hexanedione has a pungent, unpleasant odor reminiscent of butter and a taste similar to that of diacetyl. May be prepared synthetically by condensation of ethyl propionate in the presence of sodium metal, followed by oxidation of the resulting propionin with copper acetate or ferric chloride. |
| Chemical Properties | clear yellow liquid |
| Chemical Properties | 3,4-Hexanedione has an aromatic, toasty, burnt, buttery, nutty, caramel-eggy, pungent odor. |
| Occurrence | Reported found in cauliflower, coffee |
| Preparation | By condensation of ethyl propionate in the presence of sodium metal, followed by oxidation of the resulting propionin with copper acetate or ferric chloride. |
| Definition | ChEBI: 3,4-Hexanedione is an alpha-diketone. |
| Aroma threshold values | Aroma characteristics at 1.0%: sweet buttery, creamy, slightly cooked caramel and burnt sugary reminiscent of ghee and eggy vanillas. |
| Taste threshold values | Taste characteristics at 5 ppm: sweet buttery, creamy, pound cake and egg caramel-like with vanilla nuances. |
| General Description | The dermal irritation and sensitization potential of 3,4-hexanedione (used as constituents of synthetic flavoring agent) was studied using a murine model. The 3,4-hexanedione derivatives inhibited oxoglutarate transport. |
| Biochem/physiol Actions | Odor at 1.0% |
| 3,4-Hexanedione Preparation Products And Raw materials |
| Raw materials | Ferric chloride–>Cupric acetate monohydrate–>Ethyl propionate |
| Preparation Products | 2,3-Diethylpyrazine–>2,3-Diethyl-5-methylpyrazine |