alpha-Irone

CAS	79-69-6
Structure
Synonyms	Methyl-alpha-ionone
IUPAC Name	(E)-4-(2,5,6,6-Tetramethylcyclohex-2-en-1-yl)but-3-en-2-one
Molecular Weight	206.32
Canonical SMILES	CC1CC=C(C(C1(C)C)C=CC(=O)C)C
InChI	InChI=1S/C14H22O/c1-10-6-7-11(2)14(4,5)13(10)9-8-12(3)15/h6,8-9,11,13H,7H2,1-5H3/b9-8+
InChI Key	JZQOJFLIJNRDHK-CMDGGOBGSA-N
Boiling Point	285.19 °C
Melting Point	<25 °C
Purity	95%+
Density	0.934 g/mL at 20 °C(lit.)
Exact Mass	206.167065321
Isomeric SMILES	CC1CC=C(C(C1(C)C)/C=C/C(=O)C)C
Monoisotopic Mass	206.167065321
Physical State	Liquid
Refractive Index	n20/D 1.492(lit.)
Topological Polar Surface Area	17.1 Ų