Ethyl benzoylacetate

Catalog	ACM94020
CAS	94-02-0
Structure
Synonyms	Benzoylacetic acid ethyl ester
IUPAC Name	Ethyl 3-oxo-3-phenylpropanoate
Molecular Weight	192.21
Molecular Formula	C11H12O3
Canonical SMILES	CCOC(=O)CC(=O)C1=CC=CC=C1
InChI	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
Boiling Point	265-270 °C
Melting Point	<0 °C
Flash Point	147 °F
Purity	95%+
Density	1.11 g/mL at 25 °C(lit.)
Solubility	Insoluble in water; soluble in organic solvents, oils
Appearance	White to off white powder with a characteristic odor
Exact Mass	192.078644241
Monoisotopic Mass	192.078644241
Physical State	Liquid
Refractive Index	n20/D 1.52(lit.)
Storage Conditions	Below +30 °C
Topological Polar Surface Area	43.4 Ų