Cocolactone

CAS	51154-96-2
Structure
Synonyms	Massoilactone
IUPAC Name	(2R)-2-Pentyl-2,3-dihydropyran-6-one
Molecular Weight	168.23
Canonical SMILES	CCCCCC1CC=CC(=O)O1
InChI	InChI=1S/C10H16O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h5,8-9H,2-4,6-7H2,1H3/t9-/m1/s1
InChI Key	NEDIAPMWNCQWNW-SECBINFHSA-N
Boiling Point	103-104 °C
Purity	98%+
Density	0.980 g/cm³
Solubility	Soluble in alcohol and fat; insoluble in water
Exact Mass	168.115029749
Isomeric SMILES	CCCCC[C@@H]1CC=CC(=O)O1
Monoisotopic Mass	168.115029749
Odor	Sweet, herbaceous odor
Physical State	Liquid
Refractive Index	n20/D 1.462-1.482(lit.)
Topological Polar Surface Area	26.3 Ų