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HomeProduct name list3,4-Hexanedione

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: 2024-07-15 16:45:23
3,4-Hexanedione Structural

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  n20/D 1.41(lit.)
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)
ghs
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

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