Damascenone

CAS	23696-85-7
Structure
Synonyms	Trans-beta-damascenone
IUPAC Name	(E)-1-(2,6,6-Trimethylcyclohexa-1,3-dien-1-yl)but-2-en-1-one
Molecular Weight	190.28
Canonical SMILES	CC=CC(=O)C1=C(C=CCC1(C)C)C
InChI	InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+
InChI Key	POIARNZEYGURDG-FNORWQNLSA-N
Boiling Point	275.6±10.0 °C
Flash Point	62 °F
Purity	98%+
Density	0.800-0.830 g/mL at 25 °C(lit.)
Exact Mass	190.135765193
Isomeric SMILES	C/C=C/C(=O)C1=C(C=CCC1(C)C)C
Monoisotopic Mass	190.135765193
Physical State	Liquid
Refractive Index	n20/D 1.350-1.380(lit.)
Storage Conditions	2-8 °C
Topological Polar Surface Area	17.1 Ų