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13831-30-6

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13831-30-6 Structure

13831-30-6 Structure
IdentificationMore
[Name]

Acetoxyacetic acid
[CAS]

13831-30-6
[Synonyms]

2-ACETOXY ACETIC ACID
ACETOXYACETIC ACID
(Acetyloxy)acetic acid
2-Hydroxyacetic acid acetata
Acetylglycolic acid
alpha-Acetoxyacetic acid
Glycolic acid, acetate
O-Acetylglycolic acid
Acetoxuacetic acid
2-Hydroxyacetic acid acetate
a-Acetoxyacetic acid
[EINECS(EC#)]

237-541-9
[Molecular Formula]

C4H6O4
[MDL Number]

MFCD00011551
[Molecular Weight]

118.09
[MOL File]

13831-30-6.mol
Chemical PropertiesBack Directory
[Melting point ]

67-69 °C (lit.)
[Boiling point ]

141-142 °C/12 mmHg (lit.)
[density ]

1.0887 (rough estimate)
[refractive index ]

1.4500 (estimate)
[storage temp. ]

under inert gas (nitrogen or Argon) at 2-8°C
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

2.69±0.10(Predicted)
[color ]

White to Off-White
[CAS DataBase Reference]

13831-30-6(CAS DataBase Reference)
[NIST Chemistry Reference]

Acetic acid, (acetyloxy)-(13831-30-6)
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)
GHS05
[Signal word ]

Danger
[Hazard statements ]

H314
[Precautionary statements ]

P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
[Hazard Codes ]

C
[Risk Statements ]

R34:Causes burns.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S27:Take off immediately all contaminated clothing .
S28:After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
[RIDADR ]

UN 3261 8/PG 2
[WGK Germany ]

3
[HazardClass ]

8
[PackingGroup ]

III
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethyl acetoacetate-->Potassium hydroxide-->Acid-->Acetyl chloride
[Preparation Products]

5-Methyl-2-phenyl-1,2-dihydropyrazol-3-one-->4-Hydroxycoumarin-->Acemetacin-->o-Acetoacetaniside-->3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carbonyl chloride-->2-Hexanone-->2'-Chloroacetoacetanilide-->Baclofen-->Carbocromene hydrochloride-->2-Amino-((1-carboxy-1-methyl ethoxy)imino)-4-thiazoleacetic acid-->Ethyl 3-(2,6-dichloro-phenyl)-5-methyl-isoxazole-4-carboxylate-->3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carboxylic acid-->2'-Methylacetoacetanilide-->8-Acetyl-7-hydroxy-4-methylcoumarin-->Sodium cloxacillin monohydrate-->3-acetyl-4-hydroxy-2-benzopyrone-->alpha-Acetyl-2-hydroxy-beta-oxo-benzenepropanoic acid mono sodium salt-->Glycolic Anhydride Diacetate-->Ethyl 2-acetyloxy-α-(1-hydroxyethylidene)-β-oxobenzene propanoate-->γ-Valerolactone-->Potassium (R)-[(3-ethoxy-1-methyl-3-oxoprop-1-enyl)amino]phenylacetate
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Acetoxyacetic acid(13831-30-6).msds
Hazard InformationBack Directory
[Chemical Properties]

Acetoxyacetic acid has the systematic name "3-oxobutyric acid." Its chemical formula is C??H??O??. Its molecular weight is 102.09. It can be obtained as crystals from diethyl ether. Its melting point is 36-37°C. It is miscible with water and ethanol and soluble in diethyl ether. It is a strong but unstable acid, decomposing into acetone and carbon dioxide at approximately 100°C. It has an enol form that reacts with ferric chloride to produce color. Treatment with nitrous acid immediately forms oxime acetone (CH??COCHNOH) with the release of carbon dioxide. Its esters and amides are extremely stable.
[Uses]

Acetoxyacetic acid was used in preparation of tert-butyl glycolate.
[General Description]

Acetoxyacetic acid is kinetically stable degradation product of oxidative degradation of 1,3-dialkylimidazolium ionic liquids in hydrogen peroxide/aceticacid aqueous medium assisted by ultrasonic chemical irradiation. It is an intermediate formed during reactions of manganic acetate in glacial acetic acid with benzene (100°C), chlorobenzene, or toluene.
Spectrum DetailBack Directory
[Spectrum Detail]

Acetoxyacetic acid(13831-30-6)1HNMR
Acetoxyacetic acid(13831-30-6)FT-IR
Acetoxyacetic acid(13831-30-6)IR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

13831-30-6(sigmaaldrich)
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