Whiskey lactone

Catalog	ACM39212232
CAS	39212-23-2
Structure
Synonyms	Methyl octalactone
IUPAC Name	5-Butyl-4-methyloxolan-2-one
Molecular Weight	156.22
Molecular Formula	C9H16O2
Canonical SMILES	CCCCC1C(CC(=O)O1)C
InChI	InChI=1S/C9H16O2/c1-3-4-5-8-7(2)6-9(10)11-8/h7-8H,3-6H2,1-2H3
InChI Key	WNVCMFHPRIBNCW-UHFFFAOYSA-N
Boiling Point	93-94 °C
Flash Point	>230 °F
Purity	98%+
Density	0.952 g/mL at 25 °C(lit.)
Appearance	colorless to light yellow transparent liquid
Exact Mass	156.115029749
Monoisotopic Mass	156.115029749
Physical State	Liquid
Refractive Index	n20/D 1.4454(lit.)
Topological Polar Surface Area	26.3 Ų