Butanedione
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Butanedione
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CAS No:
431-03-8
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Formula:
C4H6O2
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Chemical Name:
Butanedione
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Synonyms:
2,3-Butanedione;Biacetyl;Diacetyl;2,3-Diketobutane;Dimethyl diketone;Dimethylglyoxal;Butanedione;2,3-Butadione;2,3-Dioxobutane;NSC 8750;151677-70-2
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CAS No:
Description
Yellow to yellow green liquid, a creamy fragrance after bulk dilution (1mg/kg), high vapor pressure is, evaporate quickly at room temperature, melting point-3～-4℃， boiling point 87～88℃, flash point 13℃. Soluble in ethanol, ether, most non-volatile oil and propylene glycol, soluble in glycerin and water, insoluble in mineral oil. Natural products exist in laurel oil, ajawa oil, angelica root oil, raspberry, strawberry, cream, Wine etc. Because it is volatile, it only exists in in the primary dis
Characteristics
34.14000
-1.33
Diacetyl appears as a clear colorless liquid with a strong chlorine-like odor. Flash point 80°F. Less dense than water. Vapors heavier than air.
0.990 g/cm3 @ Temp: 15 °C
-2.4 °C
88 °C @ Press: 760 Torr
7.2±0.0 °C
1.381
200 g/L (20 ºC)
Store in a flammable liquid storage area or approved cabinet away from ignition sources and corrosive and reactive materials. Store in tightly closed containers in a cool, well-ventilated area. Sources of ignition, such as smoking and open flames, are prohibited where butanedione is used, handled, or stored in a manner that could create a potential fire or explosion hazard. Metal containers involving the transfer of 5 gallons or more of butanedione should be grounded and bonded. Drums must be eq
52.2 mm Hg ( 20 °C)
3
LD50 orally in rats: 1580 mg/kg (Jenner)
Explosive limits , vol% in air: 2.4-13
Quinone odor; vapors have a chlorine-like odor
Taste characteristics at 50 ppm: sweet, buttery, creamy and milky
Safety Information
II
3
UN 2346 3/PG 2
2
R11;R20/21/22;R36/38
S9-S16-S26-S37/39-S36/37/39-S39
EK2625000
F:Flammable
Fireproof. Store in an area without drain or sewer access. Separated from : see Chemical Dangers.
Stable. Flammable. Incompatible with acids, strong bases, metals, reducing agents, oxidizing agents. Protect from moisture and water. Note low flashpoint.
P210-P261-P280-P305 + P351 + P338-P311
H225-H302-H315-H318-H331-H335
Butanedione Use and Manufacturing
Diacetyl (2,3-butanedione) is a naturally occurring product and can be found in numerous foods such as butter, milk, cheese, smoked or roasted meats, breads, fruits, vegetables, coffee, beer, and wine. Diacetyl is synthesized to be used as a food additive to impart a buttery flavor and has been designated as a generally recognized as safe (GRAS) substance with low acute toxicity (FDA, 1980). Desirable flavor concentrations in food are approximately 0.05–5.0 ppm and above that range it imparts a disagreeable taste. The most recognized recent use has been in microwave popcorn, but it has also been used for many other products (NTP, 1994, 2007). Diacetyl may be used in additives as a liquid, paste, or powder (Boylstein et al., 2006).
It meets GB 2760—1996 standards of edible spices for the moment. It is mainly used for the preparation of food essence like cream, cheese fermentation and coffee typed essence,used in milk, butter, margarine, cheese, sweets and other flavors, such as berry, caramel, chocolate, coffee, cherry, vanilla bean, honey, cocoa, fruit, wine, aroma, rum, nuts, almonds, ginger and so on. It can also be used in fresh fruit fragrance essence for makeup or new type essence in trace amount, and be used as gelatin hardening agent and photographic adhesive agent.
2,3-Butanedione is a flavoring agent that is a clear yellow to yellowish green liquid with a strong pungent odor. It is also known as 2,3-butanedione and is chemically synthesized from methyl ethyl ketone. It is miscible in water, glycerin, alcohol, and ether, and in very dilute water solution it has a typical buttery odor and flavor. Inactivates aminopeptidase-N.1 Cyclocondensation with amines has been used to form triazine2 and pteridine ring systems.3 Also used as a precursor to α-diones.4 Carrier of aroma of butter, vinegar, coffee, and other foods.
Computed Properties
Molecular Weight:86.09
XLogP3:-1.3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:86.036779430
Monoisotopic Mass:86.036779430
Topological Polar Surface Area:34.1
Heavy Atom Count:6
Complexity:71.5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Drug Function and Efficacy
It binds to the 50S subunit of the ribosome of sensitive microorganisms, inhibits RNA-dependent protein synthesis and exerts an antibacterial effect
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