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513-86-0

513-86-0 Structure

513-86-0 Structure
IdentificationMore
[Name]

3-Hydroxy-2-butanone
[CAS]

513-86-0
[Synonyms]

2,3-BUTANOLONE
3-HYDROXY-2-BUTANONE
3-HYDROXYBUTAN-2-ONE
ACETOIN
ACETYL METHYL CARBINOL
AMC
DIMETHYLKETOL
FEMA 2008
GAMMA-HYDROXY-BETA-OXOBUTANE
(±)-3-Hydroxybutan-2-on
(R,S)-3-Hydroxy-butan-2-one
1-Hydroxyethyl methyl ketone
1-hydroxyethylmethylketone
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
[EINECS(EC#)]

208-174-1
[Molecular Formula]

C4H8O2
[MDL Number]

MFCD00004521
[Molecular Weight]

88.11
[MOL File]

513-86-0.mol
Chemical PropertiesBack Directory
[Appearance]

Clear yellow to green-yellow liquid
[mp ]

15 °C (monomer)
[bp ]

148 °C(lit.)
[density ]

1.013 g/mL at 25 °C(lit.)
[FEMA ]

2008
[refractive index ]

n20/D 1.417(lit.)
[Fp ]

123 °F
[storage temp. ]

2-8°C
[solubility ]

H2O: 0.1 g/mL, clear
[Water Solubility ]

SOLUBLE
[Merck ]

14,64
[BRN ]

385636
[CAS DataBase Reference]

513-86-0(CAS DataBase Reference)
[NIST Chemistry Reference]

2-Butanone, 3-hydroxy-(513-86-0)
[EPA Substance Registry System]

513-86-0(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R10:Flammable.
R36/38:Irritating to eyes and skin .
R38:Irritating to the skin.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S36/37:Wear suitable protective clothing and gloves .
[RIDADR ]

UN 2621 3/PG 3
[WGK Germany ]

1
[RTECS ]

EL8790000
[HazardClass ]

3
[PackingGroup ]

III
[HS Code ]

29144090
[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
[Hazardous Substances Data]

513-86-0(Hazardous Substances Data)
Raw materials And Preparation ProductsBack Directory
【Raw materials】

Chlorine-->2,3-Butanedione-->2,3-Butanediol-->2,3-Butanediol
Hazard InformationBack Directory
[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.
[Reactivity Profile]

ACETYL METHYL CARBINOL(513-86-0) is a ketone and alcohol. Ketones are reactive with many acids and bases liberating heat and flammable gases (e.g., H2). The amount of heat may be sufficient to start a fire in the unreacted portion of the ketone. Ketones react with reducing agents such as hydrides, alkali metals, and nitrides to produce flammable gas (H2) and heat. Ketones are incompatible with isocyanates, aldehydes, cyanides, peroxides, and anhydrides. They react violently with aldehydes, HNO3, HNO3 + H2O2, and HClO4. Flammable and/or toxic gases are generated by the combination of alcohols with alkali metals, nitrides, and strong reducing agents. They react with oxoacids and carboxylic acids to form esters plus water. Oxidizing agents convert them to aldehydes or ketones. Alcohols exhibit both weak acid and weak base behavior. They may initiate the polymerization of isocyanates and epoxides.
[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.
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Acetoin(513-86-0).msds
Questions And AnswerBack Directory
[Content analysis]

It was determined by gas chromatography (GT-10). Use thermal conductivity detector. Use a column of 1.5 m (length), 6.35 mm (inner diameter). The column contains 20% polyethylene glycol 20M (Carbowax 20M) which is loaded on the 60/80 mesh diatomaceous earth carrier. Alternatively we can use other components that can separate diacetyl, water and methylacetyl alcohol. The following conditions were used: the sample was 2 μg; the injection temperature was about 195 ° C; the column temperature was about 130 ° C and the detector was about 230 ° C; the flow rate of the carrier gas was about 35 ml per minute. The average residence time: 2 min 15S for diacetyl, 3 min for water, and 12 mins for methyl acetyl alcohol. The peak area of the resulting methylacetyl alcohol shall not be less than 96.0% of the total area of all peaks.
[As a flavor ingredient]

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.

Identification:
CAS.No.: 
513-86-0 
FL.No.: 
7.051
FEMA.No.: 
2008
NAS.No.: 
2008
CoE.No.: 
749
EINECS.No.: 
208-174-1 
JECFA.No.: 
405
 
 
Regulatory Status:
CoE: Approved. Bev.: 5 ppm; Food: 50 ppm
FDA: 21 CFR 182.60, 184.1848, 582.60
FDA (other): n/a
JECFA: ADI: Acceptable. No safety concern at current levels of intake when used as a flavoring agent (1998).
Reported uses (ppm): (FEMA, 1994)
Food Category 
Usual 
Max. 
Alcoholic.beverages 
3.1
3.1
Baked.goods 
380
750
Breakfast.cereals 
0.67
0.67
Cheese 
10
10
Chewing.gum 
0.42
0.42
Condiments,.relishes 
2
8
Confection,.frosting 
21
100
Fats,.oils 
50
750
Frozen.dairy 
10
50
Fruit.juice 
0.03
0.03
Gelatins,.puddings 
81
81
Gravies 
0.029
0.029
Hard.candy 
18.2
84.89
Imitation.dairy 
50
100
Meat.products 
12.29
24.27
Milk.products 
0.012
0.03
Nonalcoholic.beverages 
1.8
17
Other.grains 
200
400
Reconstituted.vegetables 
32
200
Seasoning,.flavors 
30
90
Snack.foods 
36
98
Soft.candy 
9.8
50
Soups 
0.05
0.05
Sweet.sauce 
98
98
Natural occurrence: Reported found in fresh apple, butter, cheddar cheese, coffee, cocoa, honey, wheat bread and wine.
Questions and Answers (Q&A)Back Directory
[Uses]

Used as pharmaceutical intermediates, food spices; mainly for the preparation of cream, dairy, yogurt and strawberry spices.
Spectrum DetailBack Directory
[Spectrum Detail]

3-Hydroxy-2-butanone(513-86-0) 13C NMR
3-Hydroxy-2-butanone(513-86-0) 1H NMR
3-Hydroxy-2-butanone(513-86-0) IR1
3-Hydroxy-2-butanone(513-86-0) MS
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Acetyl methyl carbinol, 85 wt. % solution in water(513-86-0)
[Alfa Aesar]

3-Hydroxy-2-butanone, monomer + dimer, 97%(513-86-0)
[Sigma Aldrich]

513-86-0(sigmaaldrich)
[TCI AMERICA]

Acetoin  (May exist as crystalline dimer),>95.0%(GC)(513-86-0)
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