ChemicalBook > CAS DataBase List > Ethyl benzoylacetate

Ethyl benzoylacetate

Product Name
Ethyl benzoylacetate
CAS No.
94-02-0
Chemical Name
Ethyl benzoylacetate
Synonyms
ETHYL 3-OXO-3-PHENYLPROPANOATE;ETHYL 3-OXO-3-PHENYLPROPIONATE;FEMA 2423;BENZOYLACETIC ACID ETHYL ESTER;AKOS 92622;FEMA No. 2423;AKOS BBS-00004233;Ethylbenzoylacetat;thyl benzoylacetate;ETHYL BENZOYLACETATE
CBNumber
CB2428608
Molecular Formula
C11H12O3
Formula Weight
192.21
MOL File
94-02-0.mol
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Ethyl benzoylacetate Property

Melting point:
<0 °C
Boiling point:
265-270 °C (lit.)
Density 
1.11 g/mL at 25 °C (lit.)
vapor density 
6.6 (vs air)
vapor pressure 
1 hPa (108 °C)
FEMA 
2423 | ETHYL BENZOYLACETATE
refractive index 
n20/D 1.52(lit.)
Flash point:
147 °F
storage temp. 
Store below +30°C.
solubility 
alcohol: miscible
form 
Powder
pka
9.85±0.23(Predicted)
color 
Brown
Odor
at 100.00 %. fruity cherry naphthyl hawthorn cumin phenolic almond spicy woody maraschino cherry
Odor Type
fruity
Water Solubility 
INSOLUBLE
Sensitive 
Light Sensitive
Merck 
14,3767
JECFA Number
834
BRN 
389944
Dielectric constant
12.8（20℃）
InChIKey
GKKZMYDNDDMXSE-UHFFFAOYSA-N
LogP
1.87
CAS DataBase Reference
94-02-0(CAS DataBase Reference)
NIST Chemistry Reference
Ethyl benzoylacetate(94-02-0)
EPA Substance Registry System
Benzenepropanoic acid, .beta.-oxo-, ethyl ester (94-02-0)
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Safety

Safety Statements 
24/25
WGK Germany 
2
RTECS 
AF4878000
Autoignition Temperature
375 °C DIN 51794
TSCA 
Yes
HazardClass 
IRRITANT
HS Code 
29183000
Toxicity
LD50 orally in Rabbit: > 5000 mg/kg
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H302Harmful if swallowed

H315Causes skin irritation

H319Causes serious eye irritation

H332Harmful if inhaled

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
8.01808
Product name
Ethyl benzoylacetate
Purity
for synthesis
Packaging
100mL
Price
$49.7
Updated
2024/03/01
Sigma-Aldrich
Product number
8.01808
Product name
Ethyl benzoylacetate
Purity
for synthesis
Packaging
250ML
Price
$103
Updated
2024/03/01
Sigma-Aldrich
Product number
12990
Product name
Ethyl benzoylacetate
Purity
technical, ≥95% (HPLC)
Packaging
100ml
Price
$75.6
Updated
2024/03/01
Sigma-Aldrich
Product number
12980
Product name
Ethyl benzoylacetate
Purity
redist., ≥97.0% (HPLC)
Packaging
100ml
Price
$274
Updated
2024/03/01
TCI Chemical
Product number
B0097
Product name
Ethyl Benzoylacetate
Purity
>95.0%(GC)(T)
Packaging
25g
Price
$21
Updated
2024/03/01
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Ethyl benzoylacetate Chemical Properties,Usage,Production

Chemical Properties

Brownish liquid

Chemical Properties

Ethyl benzoylacetate has a brandy-like odor and sweet, woody, cherry, phenolic-like flavor.

Uses

Ethyl benzoylacetate (Best) is used as intermediate for different organic synthesis. Product Data Sheet

Uses

Ethyl benzoylacetate (Best) is used as an intermediate for different organic synthesis Product Data Sheet

Uses

Ethyl benzoylacetate (Benzoylacetic acid ethyl ester) was used to prepare ethyl 2-fluoro-2-benzolyacetate. It was also used to synthesize iodonium ylides.

Preparation

By condensation of ethyl benzoate with ethyl acetate (via Claisen condensation) using sodium ethoxide; another method also known.

Definition

ChEBI: Ethyl 3-oxo-3-phenylpropanoate is an aromatic ketone.

Taste threshold values

Taste characteristics at 10 ppm: sweet, cherry, fruity, berry-like with woody, jamy notes.

Synthesis Reference(s)

Journal of Medicinal Chemistry, 28, p. 1864, 1985 DOI: 10.1021/jm00150a018
Journal of Heterocyclic Chemistry, 32, p. 723, 1995 DOI: 10.1002/jhet.5570320303
The Journal of Organic Chemistry, 38, p. 2731, 1973 DOI: 10.1021/jo00955a040

General Description

Ethyl benzoylacetate is an ester. It undergoes microbial reduction by bakers′ yeast (Saccharomyces cerevisiae), Beauveria sulfurescens or Geotrichum candidum to afford ethyl (S)-3-hydroxy-3-phenylpropionate. It undergoes Claisen condensation reaction with malononitrile to afford 2-cyano-5-phenyl-3,5-dioxopentanonitrile which on cyclization followed by coupling with diazonium salts yields azo derivatives.

Ethyl benzoylacetate Preparation Products And Raw materials

Raw materials

Ethyl acetoacetate Ethyl 3-oxobutanoate sodium salt Sodium oxide Sodium Acetophenone Benzene Ammonium chloride Ethyl acetate Acetic acid Methanol Sodium hydroxide Diethyl carbonate Benzoyl chloride PETROLEUM ETHER Ethyl benzoate

Preparation Products

NORDALBERGIN ETHYL 2-HYDROXY-4-PHENYLPYRIMIDINE-5-CARBOXYLATE ETHYL 2-CHLORO-4-PHENYLPYRIMIDINE-5-CARBOXYLATE RUFLOXACIN PHENOXYACETIC ACID Ciprofloxacin hydrochloride 3-(4-OXO-6-PHENYL-1,4-DIHYDRO-PYRIMIDIN-2-YLSULFANYL)-PROPIONIC ACID Ethyl 2-amino-4-phenyl-5-thiazolecarboxylate ETHYL 4-PHENYL-1,2,3-THIADIAZOLE-5-CARBOXYLATE 2,4-DIPHENYL-1,3-THIAZOLE-5-CARBALDEHYDE ETHYL 2-HYDRAZINYL-4-PHENYLPYRIMIDINE-5-CARBOXYLATE 2-CHLORO-4-PHENYLPYRIMIDINE-5-CARBONYL CHLORIDE 5-CHLORO-1,3-DIPHENYL-1H-PYRAZOLE-4-CARBALDEHYDE 2-HYDROXY-4-PHENYLPYRIMIDINE-5-CARBOXYLIC ACID 2'-Benzoylacetanilide
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View Lastest Price from Ethyl benzoylacetate manufacturers

Hebei Zhuanglai Chemical Trading Co Ltd
Product
Ethyl benzoylacetate 94-02-0
Price
US $10.00/kg
Min. Order
1kg
Purity
99%
Supply Ability
20 ton
Release date
2024-11-14
WUHAN FORTUNA CHEMICAL CO., LTD
Product
Ethyl benzoylacetate 94-02-0
Price
US $0.00/KG
Min. Order
1KG
Purity
98%min
Supply Ability
30tons/month
Release date
2023-01-11
Hebei Weibang Biotechnology Co., Ltd
Product
Ethyl benzoylacetate 94-02-0
Price
US $0.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
500000kg
Release date
2024-10-24

94-02-0, Ethyl benzoylacetateRelated Search:

Ethyl acetate PHENOXYACETIC ACID Ethylparaben Ethylbenzene Ethyl formate Ethanol CHLOROETHANE Ethyl benzoate Phenylhydrazine Dibenzoylmethane Benzoyl peroxide Ethyl benzoylformate Ethyl malonyl chloride Ethyl isobutyrylacetate Ethyl butyrylacetate Ethyl acrylate PHENYL VALERATE Ethyl cellulose

  • AKOS 92622
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  • 3-keto-3-phenyl-propionic acid ethyl ester
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  • Ethyl benzoylacetate technical, >=95% (HPLC)
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  • ethyl2-benzoylacetate
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  • FEMA No. 2423
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  • -[[[(1S)-2-hydroxy-1-methylethyl]amino]methylene]-&beta
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  • -oxo-benzenepropanoic Acid Ethyl Ester-d5
  • -[(2-formyl-2-methylhydrazinyl)methylene]-&beta