Isoamyl acetoacetate

CAS	2308-18-1
Structure
Synonyms	Acetoacetic acid isoamyl ester
IUPAC Name	3-Methylbutyl 3-oxobutanoate
Molecular Weight	172.22
Canonical SMILES	CC(C)CCOC(=O)CC(=O)C
InChI	InChI=1S/C9H16O3/c1-7(2)4-5-12-9(11)6-8(3)10/h7H,4-6H2,1-3H3
InChI Key	XHRGPLDMNNGHCX-UHFFFAOYSA-N
Boiling Point	218 °C
Flash Point	101 °C
Purity	95%+
Density	0,97 g/cm³
Solubility	Insoluble in water; soluble in alcohol
Exact Mass	172.109944368
Monoisotopic Mass	172.109944368
Physical State	Liquid
Refractive Index	n20/D 1.429(lit.)
Topological Polar Surface Area	43.4 Ų