3,4-Hexanedione
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3,4-Hexanedione
structure -
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CAS No:
4437-51-8
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Formula:
C6H10O2
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Chemical Name:
3,4-Hexanedione
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Synonyms:
3,4-Hexanedione;Bipropionyl;NSC 23255
- Categories:
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CAS No:
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
Ⅲ
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
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.
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
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