Ethyl benzoylacetate CAS 94-02-0

Ethyl benzoylacetate, also known as ethyl 3-oxophenylpropionate, is an organic compound with the chemical formula C11H12O3, a molecular weight of 192.21, CAS number 94-02-0, and EINECS number 202-295-3. This substance is a colorless to pale yellow liquid with a boiling point of 265-270℃ (decomposes), a relative density of 1.122 (15/4℃), and a refractive index of 1.5338. It is insoluble in water but miscible with organic solvents such as ethanol, ether, and oils [1] [3-4] [6]. It easily turns yellow in air and sunlight and has a brandy-like aroma as well as woody, cherry, and phenolic notes. It does not exist in a naturally occurring form in nature.

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Model:
94-02-0
Brand:
bosschem
Code:
94-02-0

Product Description

Ethyl benzoylacetate Basic information
Product Name:	Ethyl benzoylacetate
CAS:	94-02-0
MF:	C11H12O3
MW:	192.21
EINECS:	202-295-3
Mol File:	94-02-0.mol
Ethyl benzoylacetate Chemical Properties
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)
refractive index	n20/D 1.52(lit.)
FEMA	2423 \| ETHYL BENZOYLACETATE
Fp	147 °F
storage temp.	Store below +30°C.
solubility	alcohol: miscible
pka	9.85±0.23(Predicted)
form	Powder
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	143,767
JECFA Number	834
BRN	389944
Dielectric constant	12.8（20℃）
Cosmetics Ingredients Functions	PERFUMING
InChI	1S/C11H12O3/c1-2-14-11(13)8-10(12)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKey	GKKZMYDNDDMXSE-UHFFFAOYSA-N
SMILES	CCOC(=O)CC(=O)c1ccccc1
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)