1-Methyl-2-oxopropyl butyrate

CAS	84642-61-5
Structure
Synonyms	Acetoyl butyrate
IUPAC Name	3-Oxobutan-2-yl butanoate
Molecular Weight	158.19
Canonical SMILES	CCCC(=O)OC(C)C(=O)C
InChI	InChI=1S/C8H14O3/c1-4-5-8(10)11-7(3)6(2)9/h7H,4-5H2,1-3H3
InChI Key	LJDWJXUIGKSETE-UHFFFAOYSA-N
Boiling Point	207 °C
Flash Point	179 °F
Purity	95%+
Density	0.972-0.992 g/mL at 25 °C(lit.)
Solubility	Soluble in alcohol, propylene glycol and most fixed oils; insoluble in water
Exact Mass	158.094294304
Monoisotopic Mass	158.094294304
Odor	Sweet, red berry characteristic odor
Physical State	Liquid
Refractive Index	n20/D 1.408-1.429(lit.)
Topological Polar Surface Area	43.4 Ų