W316814

Sigma-Aldrich

3,4-Hexanedione

≥95%, FG

Synonym(s):
Hexane-3,4-dione
Linear Formula:
CH2CH2COCOCH2CH3
CAS Number:
Molecular Weight:
114.14
FEMA Number:
3168
Beilstein/REAXYS Number:
1700837
EC Number:
Council of Europe no.:
2255
MDL number:
PubChem Substance ID:
Flavis number:
7.077
NACRES:
NA.21

Quality Level

biological source

synthetic

grade

FG
Halal
Kosher

Agency/Method

follows IFRA guidelines

reg. compliance

EU Regulation 1223/2009
EU Regulation 1334/2008 & 872/2012

assay

≥95%

refractive index

n20/D 1.41 (lit.)

bp

131 °C (lit.)

density

0.939 g/mL at 25 °C (lit.)

Documentation

see Safety & Documentation for available documents

Featured Industry

Flavors and Fragrances

Organoleptic

caramel; buttery

food allergen

no known allergens

fragrance allergen

no known allergens

SMILES string

CCC(=O)C(=O)CC

InChI

1S/C6H10O2/c1-3-5(7)6(8)4-2/h3-4H2,1-2H3

InChI key

KVFQMAZOBTXCAZ-UHFFFAOYSA-N

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Related Categories

General description

3,4-Hexanedione occurs naturally in honey and coffee. It has been proposed as a substitute for diacetyl in butter flavorings.

Packaging

100, 250 g in glass bottle
4 kg in steel drum
1 kg in glass bottle

Biochem/physiol Actions

Odor at 1.0%
Taste at 5 ppm

Other Notes

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Pictograms

Flame

Signal Word

Warning

Hazard Statements

Precautionary Statements

Personal Protective Equipment

dust mask type N95 (US),Eyeshields,Gloves

RIDADR

UN1224 - class 3 - PG 3 - Ketones, liquid, n.o.s., HI: all

WGK Germany

WGK 1

Flash Point(F)

80.6 °F - closed cup

Flash Point(C)

27 °C - closed cup

Flavor and free amino acid composition of lavender and eucalyptus honeys.
Bouseta A, et al.
Journal of Food Science, 61(4), 683-687 (1996)
Profiles of volatile compounds and sensory analysis of three blends of coffee: influence of different proportions of Arabica and Robusta and influence of roasting coffee with sugar.
Sanz C, et al.
Journal of the Science of Food and Agriculture, 82(8), 840-847 (2002)
Stacey E Anderson et al.
Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, 62, 373-381 (2013-09-07)
Concern has been raised over the association of diacetyl with lung disease clinically resembling bronchiolitis obliterans in food manufacturing workers. This has resulted in the need for identification of alternative chemicals to be used in the manufacturing process. Structurally similar...
Organoleptic Characteristics of Flavor Materials
Mosciano, G.
Perfumer & Flavorist, 30(5), 49-49 (2005)
Elizabeth I Parkinson et al.
Bioorganic & medicinal chemistry, 19(15), 4635-4643 (2011-07-08)
Carboxylesterases (CE) are ubiquitous enzymes found in both human and animal tissues and are responsible for the metabolism of xenobiotics. This includes numerous natural products, as well as a many clinically used drugs. Hence, the activity of these agents is...
Protocols
-Cymene; 2,5-Dimethylpyrrole; Acetoin, ≥96%, FCC, FG; 2,5-Dimethylpyrazine; 2,6-Dimethylpyrazine; 2-Ethylpyrazine, ≥98%, FG; 2,3-Dimethylpyrazine; 4-Heptanone; 3-Ethylpyridine; 2,3,5-Trimethylpyrazine; Furfural; Pyrrole; Furfuryl acetate; Linalool; Linalyl acetate; 5-Methylfurfural; γ-Butyrolactone; 2-Acetyl-1-methylpyrrole; Furfuryl alcohol; 2-Acetylpyrrole; Pyrrole-2-carboxaldehyde
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