Acetoin

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Product Description

Acetoin's cas code is 513-86-0

Product Detail

Acetoin Basic information

Content analysis As a flavor ingredient

Product Name:	Acetoin
Synonyms:	2,3-Butanolon;2-Butanol-3-one;2-Butanone,3-hydroxy-;2-Hydroxy-3-butanon;2-Hydroxy-3-butanone;2-hydroxy-3-oxobutane;3-hydroxy-2-butanon;3-hydroxy-2-butanone (acetoin)
CAS:	513-86-0
MF:	C4H8O2
MW:	88.11
EINECS:	208-174-1
Product Categories:	ketone;ketone Flavor;Pharmaceutical Raw Materials;Other APIs
Mol File:	513-86-0.mol

Acetoin Chemical Properties

Melting point	15 °C (monomer)
Boiling point	148 °C(lit.)
density	1.013 g/mL at 25 °C(lit.)
FEMA	2008 \| ACETOIN
refractive index	n20/D 1.417(lit.)
Fp	123 °F
storage temp.	2-8°C
solubility	H2O: 0.1 g/mL, clear
pka	13.21±0.20(Predicted)
form	Liquid (Monomer) or Powder or Crystals (Dimer)
color	Pale yellow to green-yellow or white to yellow
Odor	buttery odor
Water Solubility	SOLUBLE
JECFA Number	405
Merck	14,64
BRN	385636
InChIKey	ROWKJAVDOGWPAT-UHFFFAOYSA-N
CAS DataBase Reference	513-86-0(CAS DataBase Reference)
NIST Chemistry Reference	2-Butanone, 3-hydroxy-(513-86-0)
EPA Substance Registry System	2-Butanone, 3-hydroxy- (513-86-0)

Acetoin Safety Information

Hazard Codes	Xi,F
Risk Statements	10-36/38-38-11
Safety Statements	26-36-36/37
RIDADR	UN 2621 3/PG 3
WGK Germany	1
RTECS	EL8790000
TSCA	Yes
HazardClass	3
PackingGroup	III
HS Code	29144090
Hazardous Substances Data	513-86-0(Hazardous Substances Data)
Toxicity	skn-rbt 500 mg/24H MOD CNREA8 33,3069,73

Acetoin Usage And Synthesis

Chemical Properties	Acetoin is a yellowish liquid with a bland, woody, yogurt odor and a fatty creamy “tub” butter taste. It is useful as a flavor ingredient in butter, milk, yogurt or strawberry flavors.
Chemical Properties	clear yellow solution
Occurrence	Reported found in fresh apple, butter, cheddar cheese, coffee, cocoa, honey, wheat bread and wine
Uses	Acetoin is a produced via fermentation of wines, dairy products and sugars by fermentive bacteria. Acetoin is used in food flavoring and fragrances and is also found in some fruits and vegetables.
Uses	Used as pharmaceutical intermediates, food spices; mainly for the preparation of cream, dairy, yogurt and strawberry spices.
Definition	ChEBI: A methyl ketone that is butan-2-one substituted by a hydroxy group at position 3.
Aroma threshold values	Aroma characteristics at 1.0%: strong buttery and creamy
Taste threshold values	Taste characteristics at 10 ppm: sweet, creamy, dairy, and butter-like.
General Description	A light-yellow colored liquid. Slightly denser than water. Hence sinks in water. Boiling point 280°F. Flash point between 100 and 141°F. Used to make other chemicals.
Air & Water Reactions	Flammable. Slightly 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.
Safety Profile	Experimental reproductive effects. LWdly toxic by subcutaneous route. A moderate skin irritant. Flammable liquid. When heated to decomposition it emits acrid smoke and fumes. See also KETONES
Chemical Synthesis	From diacetyl by partial reduction with zinc and acid. It is also a product of fermentation. Acetoin is an optically active compound. The d(–)acetyl methyl carbinol is obtained from fermentation and, in mixture with other products, from the catalytic oxidation of 2,3-butanediol. The 1(+)acetyl methyl carbinol is also obtained from fermentation. The optically pure form has not been isolated; the optically inactive form is prepared synthetically
Purification Methods	Wash acetoin with EtOH until colourless, then with diethyl ether or acetone to remove biacetyl. Dry it in air by suction and dry further in a vacuum desiccator. [Beilstein 1 IV 3991.]