306932

Sigma-Aldrich

3,4-Hexanedione

95%

Linear Formula:
CH2CH2COCOCH2CH3
CAS Number:
Molecular Weight:
114.14
Beilstein/REAXYS Number:
1700837
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.22

Quality Level

assay

95%

refractive index

n20/D 1.41 (lit.)

bp

131 °C (lit.)

density

0.939 g/mL at 25 °C (lit.)

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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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.

Packaging

25 g in glass bottle

Pictograms

Flame

Signal Word

Warning

Hazard 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

Certificate of Analysis

Certificate of Origin

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...
Natalia Campillo et al.
Bioanalysis, 9(4), 369-379 (2017-01-20)
Two important markers of oxidative stress, glyoxal and methylglyoxal, are preconcentrated from human urine by surfactant-assisted dispersive liquid-liquid microextraction and separated by LC-fluorescence. Derivatization was carried out overnight with 0.8 mM 2,3-diaminonaphthalene at 4°C. For surfactant-assisted dispersive liquid-liquid microextraction, 500...
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...
I Stipani et al.
Archives of biochemistry and biophysics, 331(1), 48-54 (1996-07-01)
The effect of arginine-specific reagents on the function of the purified and reconstituted oxoglutarate carrier protein of the inner mitochondrial membrane has been investigated. The alpha-dicarbonyl reagents 2,3-butanedione, 2,3-pentanedione, 2,3- and 3,4-hexanedione, 1-phenyl-1,2-propanedione, phenylglyoxal, and phenylglyoxal derivatives caused a concentration-dependent...
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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