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Home > Encyclopedia > 3,4-Hexanedione

3,4-Hexanedione

3,4-Hexanedione structure

3,4-Hexanedione 

structure

Description

3,4-Hexanedione has an aromatic, toasty, burnt, buttery, nutty, caramel-eggy, pungent odor. clear yellow liquid


Liquid|yellow oil


3,4-Hexanedione is an alpha-diketone.

3,4-Hexanedione Basic Attributes

114.14

114.14

1700837

224-651-7

4M4NPR5VGD

23255

DTXSID3047681

2914190090

Characteristics

34.1

0.5

Clear yellow Liquid

0.941 g/cm3 @ Temp: 21 °C

-10 °C

130 °C

88 °F

1.406

H2O: 127 g/L (20 ºC)

Freezer

Safety Information

3

UN 1224 3/PG 3

1

10-36/38-20

23-24/25-37/39-26-16

Xn

Stable at room temperature in closed containers under normal storage and handling conditions.

P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P311, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, P501

H226

|Danger|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P311, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 1598 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

3,4-Hexanedione Use and Manufacturing

Methods of Manufacturing

After condensation of ethyl propionate in the presence of sodium metal, the resulting glycerol-propionate is oxidized in the presence of copper acetate or ferric chloride.

Uses

GB 2760-1996 stipulates the permitted food spices.

3,4-Hexanedione: ACTIVE

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index|Fatty Acyls [FA] -> Oxygenated hydrocarbons [FA12]

Flavoring Agents

Computed Properties

Molecular Weight:114.14
XLogP3:0.5
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:114.068079557
Monoisotopic Mass:114.068079557
Topological Polar Surface Area:34.1
Heavy Atom Count:8
Complexity:91.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

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