2,3-HEXANEDIONE

2,3-HEXANEDIONE Basic information
Product Name:2,3-HEXANEDIONE
Synonyms:FEMA 2558;2,3-HEXANEDIONE;2,3-Hexanodione;ACETYL BUTYRYL;Methyl propyl diketone;methylpropyldiketone;hexane-2,3-dione;2 3-HEXANEDIONE 90+%
CAS:3848-24-6
MF:C6H10O2
MW:114.14
EINECS:223-350-8
Product Categories:
Mol File:3848-24-6.mol
2,3-HEXANEDIONE Structure
2,3-HEXANEDIONE Chemical Properties
Melting point -30 °C
Boiling point 128 °C(lit.)
density 0.934 g/mL at 25 °C(lit.)
vapor density 3.9 (vs air)
vapor pressure 10 mm Hg ( 20 °C)
refractive index n20/D 1.412(lit.)
FEMA 2558 | 2,3-HEXANEDIONE
Fp 83 °F
storage temp. Store below +30°C.
solubility H2O: soluble (slightly soluble)
form neat
Odorat 1.00 % in dipropylene glycol. dry sweet caramel butter oily fatty creamy phenolic fruity
Odor Typebuttery
explosive limit1.2-5.9%(V)
Water Solubility Partly miscible in water.
JECFA Number412
BRN 1699896
Stability:Stable. Flammable. Incompatible with strong bases, strong oxidizing agents.
LogP-0.27
CAS DataBase Reference3848-24-6(CAS DataBase Reference)
EPA Substance Registry System2,3-Hexanedione (3848-24-6)
Safety Information
Hazard Codes Xi
Risk Statements 10-36/37/38
Safety Statements 26-36/37/39-16
RIDADR UN 1224 3/PG 3
WGK Germany 2
RTECS MO3140000
Autoignition Temperature245 °C
TSCA Yes
HazardClass 3
PackingGroup III
HS Code 29141990
ToxicityLD50 orally in Rabbit: > 5000 mg/kg LD50 dermal Rabbit > 5000 mg/kg
MSDS Information
ProviderLanguage
SigmaAldrich English
ALFA English
2,3-HEXANEDIONE Usage And Synthesis
Description2,3-Hexanedione has a powerful, creamy, sweet, and buttery odor (less than diacetyl) and a buttery, cheese taste. It may be synthesized from propionyl aldehyde condensed over ethyl acetylacetate;the resulting product is then oxidized (H2O2 and sodium tungstate), hydrolyzed, and finally decarboxylated to 2,3-hexanedione; from methyl butyl ketone and ethyl propyl ketone by way of the monoxime; also from acetoxy mesityl oxide.
Chemical Properties2,3-Hexanedione has a powerful, creamy, sweet and buttery odor (less than diacetyl) and a buttery cheese taste.
Chemical Propertiesyellow liquid
OccurrenceReported found in fermented soybean, peach, roasted chicken, beer, coffee, shoyu and clam.
Uses2,3-Hexanedione is used to evaluate the influence of xanthan concentration on the release of aroma compounds in xanthan-thickened food model systems. It reacts with ethylenediamine to yield macrocyclic tetradentate 12-membered nitrogen donor (N4) ligand.
Uses2,3-Hexanedione was used to evaluate the influence of xanthan concentration on the release of aroma compounds in xanthan-thickened food model systems.
DefinitionChEBI: An alpha-diketone that is hexane substituted by oxo groups at positions 2 and 3 respectively.
PreparationFrom propionyl aldehyde condensed over ethyl acetylacetate; the resulting product is then oxidized (H2O2 and sodium tungstate), hydrolyzed and finally decarboxylated to 2,3-dexanedione; from methyl butyl ketone and ethyl propyl ketone by way of the monoxime; also from acetoxy mesityl oxide
Taste threshold valuesTaste characteristics at 50 ppm: creamy, fruity, toasted brown, caramellic notes.
General DescriptionYellow liquid. Sharp penetrating odor in high concentrations. Sweet, aromatic odor when diluted.
Air & Water ReactionsHighly flammable. Insoluble in water.
Reactivity Profile2,3-HEXANEDIONE is incompatible with strong oxidizing agents and strong bases.
Fire Hazard2,3-HEXANEDIONE is flammable.
2,3-HEXANEDIONE Preparation Products And Raw materials
Raw materialsSodium tungstate dihydrate-->2-Hexanone
7-(BROMOMETHYL)-1,7-DIMETHYLBICYCLO[2.2.1]HEPTANE-2,3-DIONE DEHYDROASCORBIC ACID 2,3-HEXANEDIONE 5-Methyl-2,3-hexanedione (Acetyl isovaleryl),2,3-Hexanedione, 5-methyl-,5-METHYL-2,3-HEXANEDIONE,5-methyl-3-hexanedion RHODIZONIC ACID DIHYDRATE Sodium rhodizonate 3,5-DI-TERT-BUTYL-O-BENZOQUINONE RHODIZONIC ACID DIPOTASSIUM SALT 5-(1,2-DIHYDROXYETHYL)-2,3,4(5H)-FURANTRIONE CHAETOGLOBOSINC (1R)-(-)-CAMPHORQUINONE 3,3,6,8-TETRAMETHYL-1,2,3,4-TETRAHYDRONAPHTHALENE-1,2-DIONE cycloheptane-1,2-dione (1S)-(+)-CAMPHORQUINONE TRIQUINOLYL BARIUM RHODIZONATE HEPTANOYL-N-METHYL-GLUCAMIDE 2,3-HEPTANEDIONE

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