Alpha-damascone

CAS	24720-09-0 / 43052-87-5
Structure
Synonyms	4-(2,6,6-Trimethyl-2-cyclohexenyl)-2-buten-4-one
IUPAC Name	(E)-1-(2,6,6-trimethylcyclohex-2-en-1-yl)but-2-en-1-one
Molecular Weight	192.3
Canonical SMILES	CC=CC(=O)C1C(=CCCC1(C)C)C
InChI	InChI=1S/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,7-8,12H,6,9H2,1-4H3/b7-5+
InChI Key	CRIGTVCBMUKRSL-FNORWQNLSA-N
Boiling Point	267.1±29.0 °C
Flash Point	100 °C
Purity	98%+
Density	0.898±0.06 g/cm³
Exact Mass	192.151415257
Isomeric SMILES	C/C=C/C(=O)C1C(=CCCC1(C)C)C
Monoisotopic Mass	192.151415257
Odor	Fruity floral odor
Physical State	Liquid
Refractive Index	n20/D 1.496(lit.)
Topological Polar Surface Area	17.1 Ų