3,4-Hexanedione
Synonym(s):Hexane-3,4-dione
- CAS NO.：4437-51-8
- Empirical Formula: C6H10O2
- Molecular Weight: 114.14
- MDL number: MFCD00010237
- EINECS: 224-651-7
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-04-26 17:21:34
What is 3,4-Hexanedione?
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%
Properties of 3,4-Hexanedione
| Melting point: | -10 °C |
| Boiling point: | 131 °C (lit.) |
| Density | 0.939 g/mL at 25 °C (lit.) |
| refractive index | n |
| FEMA | 3168 | 3,4-HEXANEDIONE |
| Flash point: | 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 |
| Water Solubility | 127 g/L (20 ºC) |
| JECFA Number | 413 |
| BRN | 1700837 |
| 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 for 3,4-Hexanedione
| Signal word | Warning |
| Pictogram(s) |
 Flame Flammables GHS02 |
| GHS Hazard Statements |
H226:Flammable liquids |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. |
Computed Descriptors for 3,4-Hexanedione
New Products
3-Pyridineacrylic acid 3-Bromo-4-fluorophenol N-Boc-Ethylenediamine cis-[2-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl-4-methylbenzenesulphonate 4-Aminotetrahydropyran hydrochloride 4,5-Dibromopyridazin-3-one N-Benzyl-3-hydroxypiperidine 2-Methyl-4-nitrobenzoic acid 2-(4-bromophenyl)-2-methylpropanoic acid 4-Acetyl-2-methylbenzoicacid Acetyl-meldrum's acid Ethyl-4-Pyrazole carboxylate 2,4-Dichloro-5-Methylpyridine 2-Amino-6-Chloro-3-Nitropyridine 2-Chloro-4-Nitropyridine-N-Oxide 3-Amino-5-Chloropyridine 2-Fluoroisonicotinic acid 2-Hydroxy-5-Methylpyridine METHYL-4-(BUTYRYLAMINO)3-METHYL-5-NITROBENZOATE TRANS-CYCLOBUTANE-1,2- DICARBOXYLIC ACID 5-Nitro indazole R-(-)-5-(2-AMINO-PROPYL)-2-METHOXY-BENZENESULFONAMIDE 1,3-cyclohexanedione 4-AminophenaethylalcholRelated products of tetrahydrofuran
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