Butyl acetoacetate

CAS	591-60-6
Structure
Synonyms	Acetoacetic acid N-butyl ester
IUPAC Name	Butyl 3-oxobutanoate
Molecular Weight	158.19
Canonical SMILES	CCCCOC(=O)CC(=O)C
InChI	InChI=1S/C8H14O3/c1-3-4-5-11-8(10)6-7(2)9/h3-6H2,1-2H3
InChI Key	REIYHFWZISXFKU-UHFFFAOYSA-N
Melting Point	-35.6 °C
Purity	95%+
Density	0.976 g/mL at 25 °C(lit.)
Solubility	Insoluble in water; soluble in alcohol and oil
Exact Mass	158.094294304
Monoisotopic Mass	158.094294304
Odor	Sweet, brandy-like odor of fermented fruit
Physical State	Liquid
Refractive Index	n20/D 1.425-1.435(lit.)
Topological Polar Surface Area	43.4 Ų