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141-97-9

141-97-9 Structure

141-97-9 Structure
IdentificationMore
[Name]

Ethyl acetoacetate
[CAS]

141-97-9
[Synonyms]

3-KETOBUTANOIC ACID ETHYL ESTER
3-OXOBUTANOIC ACID ETHYL ESTER
3-OXOBUTYRIC ACID ETHYL ESTER
ACE
ACETOACETIC ACID ETHYL ESTER
ACETOACETIC ESTER
ACETOACETIC ESTER (ETHYL)
ACETOACETIC ETHER
AKOS BBS-00004335
DIACETIC ETHER
EAA
ETHYL 3-KETOBUTANOATE
ETHYL 3-OXOBUTANATE
ETHYL 3-OXOBUTANOATE
ETHYL 3-OXOBUTANOIC ACID
ETHYL 3-OXOBUTYRATE
ETHYL ACETOACETATE
Ethyl acetyl acetate
ethyl beta-ketobutyrate
FEMA 2415
[EINECS(EC#)]

205-516-1
[Molecular Formula]

C6H10O3
[MDL Number]

MFCD00009199
[Molecular Weight]

130.14
[MOL File]

141-97-9.mol
Chemical PropertiesBack Directory
[Definition]

This compound is a tautomer at room temperature consisting of about 93% keto form and 7% enol form.
[Appearance]

Colourless, clear liquid
[mp ]

−43 °C(lit.)
[bp ]

181 °C(lit.)
[density ]

1.029 g/mL at 20 °C(lit.)
[vapor density ]

4.48 (vs air)
[vapor pressure ]

1 mm Hg ( 28.5 °C)
[FEMA ]

2415
[refractive index ]

n20/D 1.419
[Fp ]

185 °F
[solubility ]

116 g/L (20°C)
[Stability:]

Stable. Incompatible with acids, bases, oxidizing agents, reducing agents, alkali metals. Combustible.
[Water Solubility ]

116 g/L (20 ºC)
[Usage]

Ethyl acetoacetate (EAA) is used as starting material for the syntheses of alpha-substituted acetoacetic esters and cyclic compounds, e.g. pyrazole, pyrimidine and coumarin derivatives as well as intermediate for vitamins and pharmaceuticals. Product Data Sheet
[Merck ]

14,3758
[BRN ]

385838
[CAS DataBase Reference]

141-97-9(CAS DataBase Reference)
[NIST Chemistry Reference]

Butanoic acid, 3-oxo-, ethyl ester(141-97-9)
[EPA Substance Registry System]

141-97-9(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36:Irritating to the eyes.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S24/25:Avoid contact with skin and eyes .
[RIDADR ]

UN 1993
[WGK Germany ]

1
[RTECS ]

AK5250000
[HazardClass ]

3.2
[PackingGroup ]

III
[HS Code ]

29183000
[Safety Profile]

eye irritant. Combustible liquid when exposed to heat or flame; can react with oxidzing materials. Explosive reaction when heated with Zn + tribromoneopentyl alcohol or 2,2,2 tris(bromomethy1)ethanol. To fight fire, use alcohol foam, CO2, dry chemical. When heated to decomposition it emits acrid smoke and irritating fumes. See also ESTERS.
[Hazardous Substances Data]

141-97-9(Hazardous Substances Data)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Etanol-->Sodium-->Sodium ethoxide-->Acetyl ketene-->METHANE
[Preparation Products]

2,4-DIMETHYLQUINOLINE-3-CARBOXYLIC ACID-->4-CHLORO-2,6-DIMETHYL-NICOTINIC ACID-->ETHYL 2-HYDROXY-4-METHYL-5-PYRIMIDINECARBOXYLATE-->BISPYRAZOLONE-->ETHYL 4-CHLORO-2,6-DIMETHYLPYRIDINE-3-CARBOXYLATE-->TIADINIL-->1-Bromo-5-hexanone-->3-CHLORO-4-METHYL-7-HYDROXYCOUNMARIN-->5,7-Dihydroxy-4-methylcoumarin-->5-METHYL-1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID-->7,8-DIHYDROXY-4-METHYLCOUMARIN-->6-TERT-BUTYL-4-METHYLCOUMARIN-->2-Amino-6-methyl-4-pyrimidinol-->4,7-DIMETHYLCOUMARIN-->1,3-Dimethyl-5-hydroxypyrazole-->4-Chloro-6-methyl-2-(methylthio)pyrimidine-->(5-METHYL-1-PHENYL-1H-PYRAZOL-4-YL)METHANOL-->7-Acetoxy-4-methylcoumarin-->Pentoxifylline-->4-Methylumbelliferone-->Disperse Yellow H-4GL-->ETHYL 2,4-DIMETHYLQUINOLINE-3-CARBOXYLATE-->3-METHYL-5-PHENYL-4-ISOXAZOLECARBOXYLIC ACID-->PHENOXYACETIC ACID-->Chrysin-->Cloricromene-->ethyl 2-[2-(diethylamino)ethyl]acetoacetate -->ETHYL 5-METHYL-1-PHENYL-1H-PYRAZOLE-4-CARBOXYLATE-->6-Methyl-2-(methylthio)pyrimidin-4-ol-->ETHYL 2-ACETYL-3-OXO-HEXANOATE-->4-HYDROXY-2-METHYLQUINOLINE-->3-ETHOXYCARBONYL-5,6-DIHYDRO-2-METHYL-4H-PYRAN-->1-(6-CHLORO-2-HYDROXY-4-PHENYL-QUINOLIN-3-YL)-ETHANONE-->4-Methylcumarin-->Acetoacetic Acid-->Ethyl 3-anilinobut-2-enoate-->Ethyl 3-hydroxybutyrate-->ETHYL 2-(HYDROXYIMINO)-3-OXOBUTANOATE-->N-Phenylglycine potassium salt-->3-Ethyl-4-methyl-3-pyrrolin-2-one
Hazard InformationBack Directory
[General Description]

A colorless liquid with a fruity odor. Flash point 185°F. Boiling point 365°F. May cause adverse health effects if ingested or inhaled. May irritate to skin, eyes and mucous membranes. Used in organic synthesis and in lacquers and paints.
[Reactivity Profile]

ETHYL ACETOACETATE(141-97-9), a beta-keto ester, is more reactive than many esters. Undergoes an exothermic cleavage reaction in the presence of concentrated base. Reacts with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides. Mixing with 2,2,2-tris(bromomethyl)ethanol and zinc led to an explosion [US Patent 3 578 619, Crotonaldehyde may rapidly polymerize with ETHYL ACETOACETATE(141-97-9) (Soriano, D.S. et al. 1988. Journal of Chemical Education 65:637.).1971].
[Air & Water Reactions]

Flammable.
[Hazard]

Toxic by ingestion and inhalation; irritant to skin and eyes.
[Health Hazard]

Liquid may cause mild irritation of eyes.
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Acetoacetic ester(141-97-9).msds
Spectrum DetailBack Directory
[Spectrum Detail]

Ethyl acetoacetate(141-97-9) IR1
Ethyl acetoacetate(141-97-9) Raman
Ethyl acetoacetate(141-97-9) MS
Ethyl acetoacetate(141-97-9) IR2
Ethyl acetoacetate(141-97-9) 1H NMR
Ethyl acetoacetate(141-97-9) 13C NMR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Ethyl acetoacetate, pure, 99%(141-97-9)
[Alfa Aesar]

Ethyl acetoacetate, 99+%(141-97-9)
[Sigma Aldrich]

141-97-9(sigmaaldrich)
[TCI AMERICA]

Ethyl Acetoacetate,>99.0%(GC)(141-97-9)
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