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431-03-8

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Identification

Name
2,3-Butanedione
CAS
431-03-8
Synonyms
2,3-BUTADIONE
2,3-BUTANEDIONE
2,3-DIKETOBUTANE
2,3-DIOXOBUTANE
BIACETYL
butane-2,3-dione
BUTANEDIONE
DIACETYL
DIMETHYL DIKETONE
DIMETHYLGLYOXAL
FEMA 2370
(CH3CO)2
2,3-Butandione
2,3-butanedione (diacetal)
2,3-butanodione
Butan-2,3-dione
Butandione
dimethyl-glyoxa
Glyoxal, dimethyl-
DIACETYLE
EINECS(EC#)
207-069-8
Molecular Formula
C4H6O2
MDL Number
MFCD00008756
Molecular Weight
86.09
MOL File
431-03-8.mol

Chemical Properties

Appearance
liquid with a butter-like odour
mp 
-4--2 °C
bp 
88 °C(lit.)

density 
0.985 g/mL at 20 °C

vapor density 
3 (vs air)

vapor pressure 
52.2 mm Hg ( 20 °C)

FEMA 
2370
refractive index 
n20/D 1.394(lit.)

Fp 
45 °F

storage temp. 
2-8°C

Stability:
Stable. Flammable. Incompatible with acids, strong bases, metals, reducing agents, oxidizing agents. Protect from moisture and water. Note low flashpoint.
Water Solubility 
200 g/L (20 ºC)
Merck 
14,2966
BRN 
605398
Uses
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.
CAS DataBase Reference
431-03-8(CAS DataBase Reference)
NIST Chemistry Reference
2,3-Butanedione(431-03-8)
EPA Substance Registry System
431-03-8(EPA Substance)

Safety Data

Hazard Codes 
F,Xn
Risk Statements 
R11:Highly Flammable.
R20/22:Harmful by inhalation and if swallowed .
R38:Irritating to the skin.
R41:Risk of serious damage to eyes.
R36/38:Irritating to eyes and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R37/38:Irritating to respiratory system and skin .
Safety Statements 
S9:Keep container in a well-ventilated place .
S16:Keep away from sources of ignition-No smoking .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S39:Wear eye/face protection .
RIDADR 
UN 2346 3/PG 2

WGK Germany 
2

RTECS 
EK2625000


13
HazardClass 
3
PackingGroup 
II
HS Code 
29141990
Safety Profile
A poison by ingestion and intraperitoneal routes. A skin irritant. Human inhalation hazard in popcorn manufacture. Human mutation data reported. Flammable liquid. Dangerous fire hazard when exposed to heat or flame. To fight fire, use alcohol foam, CO2, dry chemical. When heated to decomposition it emits acrid smoke and fumes. See also KETONES.
Hazardous Substances Data
431-03-8(Hazardous Substances Data)

Raw materials And Preparation Products

Hazard Information

General Description
A clear colorless liquid with a strong chlorine-like odor. Flash point 80°F. Less dense than water. Vapors heavier than air.
Reactivity Profile
DIACETYL(431-03-8) is a flammable liquid, b.p. 88° C, moderately toxic. When heated to decomposition DIACETYL(431-03-8) emits acrid smoke and fumes [Sax, 9th ed., 1996, p. 544].
Air & Water Reactions
Highly flammable. Soluble in water.
Health Hazard
Inhalation or contact with material may irritate or burn skin and eyes. Fire may produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control may cause pollution.
Fire Hazard
HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water.

Material Safety Data Sheet(MSDS)

Questions And Answer

Chemical Properties
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 distillate and distilled water.
Uses
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.
Content analysis
The content of 2,3-Butanedione is analyzed according to method 1(hydroxylamine method) of the aldehyde and ketone analyzing methods (OT-7). The sample weight is 500mg. The equivalent factor (e) in calculation is 21.52 .It is Fit to be analyzed using nonpolar column in GT-10-4.
Toxicity
Not specified by ADI (FAO/WHO,1994)
GRAS(FEMA;FDA,§184.1278,2000)
Quantity restrictions
FEMA(mg/kg): FEMA(mg/kg):soft drinks 2.5;cold drinks 5.9;sweets 21;bakery products44; puddings 19;chewing gum 35;shortening 11.
Production
In nature, Diacetyl exists widely in many Plant essential oils, such as iris oil, angelica oil, laurel oil, etc. It is the main component of butter and other natural products fragrance.
In industry, methyl ethyl ketone was treated with nitrite acid to generate diacetylmonoxime. Diacetylmonoxime is then decomposed by sulfuric acid to produce Butanedione.
Diacetyl can be obtained by chemical ionization method from high content of essential oil. Two parts of phosphoric acid were added to one part of essential oil to
produce crystalline adduct CH3CO-COCH3. Butanedione was released after the addition of water. Excessive addition of phosphoric acid will lead to liquid adduct product.
Diacetyl can be obtained by special fermentation of glucose.
Diacetyl can be synthesized using methyl ethyl ketone as raw material.
Diacetyl was oxidized by sodium nitrite in the presence of hydrochloric acid,
Then, the process of istillation is carried out after hydrolysis in the presence of sulfuric acid to produce Butanedione.
Category
flammable liquid
Acute toxicity
Oral-rat  LD50: 1580mg/kg, oral-mice: 250 mg/kg
Stimulus data
Skin-rabbit 500 mg/24h middle
Flammability and Hazardous characteristics
Flammable in case of fire, high temperature and oxidant, Combustion produces irritating smoke.
Storage
Ventilated and dry warehouse with low temperature. Separated from oxidant, acid.

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