Ethyl benzoylacetate

ALDRICH/281492 - technical grade, 90%

Synonym: Benzoylacetic acid ethyl ester; Ethyl 3-oxo-3-phenylpropionate

CAS Number: 94-02-0
Empirical Formula (Hill Notation): C₁₁H₁₂O₃
Molecular Weight: 192.21
EC Number: 202-295-3
MDL Number: MFCD00009196
Linear Formula: C₆H₅COCH₂COOC₂H₅
Product Type: Chemical

Catalog Number	PKG Qty.	Price


45-281492-100ML	100 mL	$74.00 1/EA	Add To Favorites
45-281492-500ML	500 mL	$297.00 1/EA	Add To Favorites

Properties
Descriptions
Safety Info.
Basic Data

assay	90%
bp	265-270 °C (lit.)
density	1.11 g/mL at 25 °C (lit.)
form	liquid
grade	technical grade
InChI	1S/C11H12O3/c1-2-14-11(13)8-10(12)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChI key	GKKZMYDNDDMXSE-UHFFFAOYSA-N
Quality Level	100
refractive index	n20/D 1.52 (lit.)
SMILES string	CCOC(=O)CC(=O)c1ccccc1
solubility	alcohol: miscible
	diethyl ether: miscible
	water: insoluble
vapor density	6.6 (vs air)

Application:	Ethyl benzoylacetate was sed in the preparation of: • triazipinones • ethyl 2-fluoro-2-benzolyacetate • 1,2,4-triazolo[1,5-a]pyrimidine antibiotic essramycin • benzo[c]furan-4,7-diones • iodonium ylides
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.
Packaging:	5, 100, 500 mL in glass bottle
Packaging:	Packaged in glass bottles

RIDADR	NONH for all modes of transport
WGK Germany	WGK 2
Flash Point(F)	284.0 °F - closed cup
Flash Point(C)	140 °C - closed cup

Purity	90%
bp	265-270 °C (lit.)
Density	1.11 g/mL at 25 °C (lit.)
Refractive Index	n20/D 1.52 (lit.)
UNSPSC	12352100

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