Pineapple heptadienone 10%

CAS	313973-37-4
Structure
IUPAC Name	2-Cyclohexylhepta-1,6-dien-3-one
Molecular Weight	192.3
Canonical SMILES	C=CCCC(=O)C(=C)C1CCCCC1
InChI	InChI=1S/C13H20O/c1-3-4-10-13(14)11(2)12-8-6-5-7-9-12/h3,12H,1-2,4-10H2
InChI Key	WJWBVJLPGOYBGM-UHFFFAOYSA-N
Boiling Point	284.4±19.0 °C
Flash Point	112 °C
Purity	95%+
Density	0.914±0.06 g/cm³
Exact Mass	192.151415257
Monoisotopic Mass	192.151415257
Physical State	Liquid
Refractive Index	n20/D 1.443-1.448(lit.)
Topological Polar Surface Area	17.1 Ų