Isobutyl acetoacetate

CAS	7779-75-1
Structure
Synonyms	Acetoacetic acid 2-methylpropyl ester
IUPAC Name	2-Methylpropyl 3-oxobutanoate
Molecular Weight	158.19
Canonical SMILES	CC(C)COC(=O)CC(=O)C
InChI	InChI=1S/C8H14O3/c1-6(2)5-11-8(10)4-7(3)9/h6H,4-5H2,1-3H3
InChI Key	ZYXNLVMBIHVDRH-UHFFFAOYSA-N
Boiling Point	100 °C
Melting Point	177-179 °C
Flash Point	173 °F
Purity	95%+
Density	0.98 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, fruity odor
Physical State	Liquid
Refractive Index	n20/D 1.424(lit.)
Storage Conditions	Dry place,under -20 °C
Topological Polar Surface Area	43.4 Ų