Ethyl Acetoacetate

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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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