94-02-0

Name	Ethyl benzoylacetate
CAS	94-02-0
EINECS(EC#)	202-295-3
Molecular Formula	C11H12O3
MDL Number	MFCD00009196
Molecular Weight	192.21
MOL File	94-02-0.mol

Chemical Properties

Appearance	Brownish liquid
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
refractive index	n20/D 1.52(lit.)
Fp	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
Usage	Ethyl benzoylacetate (Best) is used as an intermediate for different organic synthesis Product Data Sheet
Detection Methods	HPLC,NMR,MS
JECFA Number	834
Merck	14,3767
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)
Storage Precautions	Light sensitive;Air sensitive
EPA Substance Registry System	94-02-0(EPA Substance)

Safety Data

Safety Statements	S24/25:Avoid contact with skin and eyes . less more
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 less more

Raw materials And Preparation Products

Hazard Information

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 an intermediate for different organic synthesis Product Data Sheet

Uses

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

Definition

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

Preparation

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

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.

Material Safety Data Sheet(MSDS)

Spectrum Detail

Well-known Reagent Company Product Information

Supplier

Jiangsu Greature Bio-Medicine Co., Ltd.

Telephone0512-85557988 18662338935

Websitehttp://www.greature.cn

Beijing Holiyang Chemical Co. Ltd.

Telephone 13718199399

Websitehttps://www.holiyangchem.com

Jinan Jinchi Pharmaceutical Technology Co., LTD

Telephone15168890063 18888326116

Websitehttps://www.chemicalbook.com/ShowSupplierProductsList666773/0.htm

Hefei Ergao Chemical Co., Ltd

Telephone 13349118557

Websitehttp://ergao8.com/

Changzhou Jintan Kuncheng Biotechnology Co., Ltd

Telephone 13814785958

Website

J & K SCIENTIFIC LTD.

Telephone010-82848833 400-666-7788

Websitehttp://www.jkchemical.com

Meryer (Shanghai) Chemical Technology Co., Ltd.

Telephone021-61259108 18621169109

Websitehttps://www.meryer.com/cn/index/

Beijing Donghualituo Techonlogy Development Co.,Ltd.

Telephone010-88425576

Websitehttp://www.dhltchem.com/

3B Pharmachem (Wuhan) International Co.,Ltd.

Telephone821-50328103-801 18930552037

Websitehttps://www.chemicalbook.com/ShowSupplierProductsList13285/0.htm

Alfa Aesar

Telephone400-6106006

Websitehttp://chemicals.thermofisher.cn

TCI (Shanghai) Development Co., Ltd.

Telephone021-67121386

Websitehttps://www.tcichemicals.com/CN/zh/

Beijing dtftchem Technology Co., Ltd.

Telephone010-60275820 13031183356

Websitehttp://www.dtfchem.com

Beijing HwrkChemical Technology Co., Ltd

Telephone0757-86329057 18501085097

Websitehttp://www.hwrkchemical.com

Energy Chemical

Telephone021-021-58432009 400-005-6266

Websitehttp://www.energy-chemical.com

Wuhan Chemwish Technology Co., Ltd

Telephone86-027-67849912

Websitehttp://www.chemwish.com

Beijing Ouhe Technology Co., Ltd

Telephone010-82967028 13552068683

Websitehttp://www.ouhechem.com/

JinYan Chemicals(ShangHai) Co.,Ltd.

Telephone13817811078

Websitehttp://www.jingyan-chemical.com/

Jia Xing Isenchem Co.,Ltd

Telephone0573-85285100 18627885956

Websitehttps://www.chemicalbook.com/ShowSupplierProductsList14265/0.htm

1of4

Related Products

Send Inquriy