Product Description

Ethyl acetoacetate's cas code is 141-97-9.

Product Detail

Ethyl acetoacetate Basic information


Product Name:

Ethyl acetoacetate

Synonyms:

Natural ethyl acetoacetate;3-OXOBUTANOIC ACID ETHYL ESTER;3-OXOBUTYRIC ACID ETHYL ESTER;3-KETOBUTANOIC ACID ETHYL ESTER;ACETOACETIC ESTER;ACETOACETIC ESTER (ETHYL);ACETOACETIC ETHER;ACETOACETIC ACID ETHYL ESTER

CAS:

141-97-9

MF:

C6H10O3

MW:

130.14

EINECS:

205-516-1

Product Categories:

Pharmaceutical Intermediates;Organics;API intermediates;Miscellaneous;ester Flavor;Organic synthesis;Solvent;Analytical Reagents;Analytical Reagents for General Use;Analytical/Chromatography;Building Blocks;C6 to C7;Carbonyl Compounds;Chemical Synthesis;E-H;Esters;Organic Building Blocks;Puriss p.a.

Mol File:

141-97-9.mol



Ethyl acetoacetate Chemical Properties


Melting point 

−43 °C(lit.)

Boiling point 

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)

refractive index 

n20/D 1.419

FEMA 

2415 | ETHYL ACETOACETATE

Fp 

185 °F

storage temp. 

Store below +30°C.

solubility 

116 g/L (20°C)

pka

11(at 25℃)

form 

Liquid

color 

APHA: ≤15

Specific Gravity

1.027~1.035 (20/4℃)

Relative polarity

0.577

Odor

Agreeable, fruity.

PH

4.0 (110g/l, H2O, 20℃)

explosive limit

1.0-54%(V)

Water Solubility 

116 g/L (20 ºC)

JECFA Number

595

Merck 

14,3758

BRN 

385838

Stability:

Stable. Incompatible with acids, bases, oxidizing agents, reducing agents, alkali metals. Combustible.

InChIKey

XYIBRDXRRQCHLP-UHFFFAOYSA-N

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

Ethyl acetoacetate (141-97-9)


Ethyl acetoacetate Safety Information


Hazard Codes 

Xi

Risk Statements 

36

Safety Statements 

26-24/25

RIDADR 

UN 1993

WGK Germany 

1

RTECS 

AK5250000

Autoignition Temperature

580 °F

TSCA 

Yes

HazardClass 

3.2

PackingGroup 

III

HS Code 

29183000

Hazardous Substances Data

141-97-9(Hazardous Substances Data)

Toxicity

LD50 orally in rats: 3.98 g/kg (Smyth)


Ethyl acetoacetate Usage And Synthesis


Description

The organic compound ethyl acetoacetate (EAA) is the ethyl ester of acetoacetic acid. It is mainly used as a chemical intermediate in the production of a wide variety of compounds, such as amino acids, analgesics, antibiotics, antimalarial agents, antipyrine and amino pyrine, and vitamin B1; as well as the manufacture of dyes, inks, lacquers, perfumes, plastics, and yellow paint pigments. Alone, it is used as a flavoring for food.

Chemical Properties

Ethyl acetoacetate has a characteristic ether-like, fruity, pleasant, refreshing odor.

Chemical Properties

Ethyl 3-Oxobutanoate is a colorless liquid with a fruity, ethereal, sweet odor reminiscent of green apples. It is used to create fresh, fruity top notes in feminine fine fragrances. Ethyl acetoacetate occurs in flavors of natural materials such as coffee, strawberries, and yellow passion fruits.

Production Methods

Ethyl acetoacetate is manufactured through a reaction of high-purity ethyl acetate with sodium, followed by neutralization with sulfuric acid.

Preparation

Ethyl acetoacetate is produced industrially by treatment of diketene with ethanol.
The preparation of ethyl acetoacetate is a classic laboratory procedure . It is prepared via the Claisen condensation of ethyl acetate. Two moles of ethyl acetate condense to form one mole each of ethyl acetoacetate and ethanol.

Aroma threshold values

Detection: 520 ppb. Aroma characteristics at 10%: sweet fruity apple, fermented, slightly fusel-like and rummy, fruity banana with tropical nuances.

Taste threshold values

Taste characteristics at 100 ppm: fruity banana, apple and white grape with slightly green estry and tropical nuances.Taste characteristics at 300 ppm: estery, fatty, fruity and tutti-frutti

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.

Purification Methods

Shake the ester with small amounts of saturated aqueous NaHCO3 (until no further effervescence), then with water. Dry it with MgSO4 or CaCl2 and distil it under reduced pressure. [Beilstein 3 IV 1528.]


Ethyl acetoacetate Preparation Products And Raw materials


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

 

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