Ethyl 2-benzylacetoacetate

Catalog	ACM620791
CAS	620-79-1
Structure
Synonyms	2-Benzyl-3-oxobutanoic acid ethyl ester
IUPAC Name	Ethyl 2-benzyl-3-oxobutanoate
Molecular Weight	220.26
Molecular Formula	C13H16O3
Canonical SMILES	CCOC(=O)C(CC1=CC=CC=C1)C(=O)C
InChI	InChI=1S/C13H16O3/c1-3-16-13(15)12(10(2)14)9-11-7-5-4-6-8-11/h4-8,12H,3,9H2,1-2H3
InChI Key	XDWQYMXQMNUWID-UHFFFAOYSA-N
Boiling Point	276 °C
Flash Point	>230 °F
Purity	95%+
Density	1.036 g/mL at 25 °C(lit.)
Solubility	Insoluble in water; soluble in organic solvents, oils
Appearance	Light yellow liquid
Exact Mass	220.109944368
Monoisotopic Mass	220.109944368
Odor	Balsamic, floral-fruity odor
Physical State	Oily liquid
Refractive Index	n20/D 1.5(lit.)
Topological Polar Surface Area	43.4 Ų