(E)-beta-Damascone

CAS	23726-91-2
Structure
IUPAC Name	(E)-1-(2,6,6-Trimethylcyclohexen-1-yl)but-2-en-1-one
Molecular Weight	192.3
Canonical SMILES	CC=CC(=O)C1=C(CCCC1(C)C)C
InChI	InChI=1S/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,7H,6,8-9H2,1-4H3/b7-5+
InChI Key	BGTBFNDXYDYBEY-FNORWQNLSA-N
Boiling Point	271 °C
Flash Point	108 °C
Purity	98%+
Density	0.934 g/mL at 20 °C(lit.)
Exact Mass	192.151415257
Isomeric SMILES	C/C=C/C(=O)C1=C(CCCC1(C)C)C
Monoisotopic Mass	192.151415257
Physical State	Liquid
Refractive Index	n20/D 1.498(lit.)
Storage Conditions	-20 °C
Topological Polar Surface Area	17.1 Ų