Acetoin
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Acetoin

Acetoin's cas code is 513-86-0

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Product Description

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.]


Acetoin Preparation Products And Raw materials


Raw materials

Chlorine-->2,3-Butanedione-->2,3-Butanediol-->2,3-Butanediol


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