7-Hexyl-2-oxepanone

CAS	16429-21-3
Structure
Synonyms	6-Hydroxy-dodecanoic acid epsilon-lactone
IUPAC Name	7-Hexyloxepan-2-one
Molecular Weight	198.3
Canonical SMILES	CCCCCCC1CCCCC(=O)O1
InChI	InChI=1S/C12H22O2/c1-2-3-4-5-8-11-9-6-7-10-12(13)14-11/h11H,2-10H2,1H3
InChI Key	FRTMRFCNTDDSOB-UHFFFAOYSA-N
Boiling Point	140-141 °C
Melting Point	-12 °C
Flash Point	>230 °F
Purity	98%+
Density	0.942 g/mL at 25 °C(lit.)
Solubility	Slightly soluble in water; miscible with fats
Exact Mass	198.16197994
Monoisotopic Mass	198.16197994
Odor	Sweet, fruity, peach odor
Physical State	Liquid
Refractive Index	n20/D 1.460(lit.)
Topological Polar Surface Area	26.3 Ų