6-Methylionone

CAS	1335-46-2 / 7779-30-8
Structure
Synonyms	N-Methyl-a-ionone
IUPAC Name	(E)-1-(2,6,6-Trimethylcyclohex-2-en-1-yl)pent-1-en-3-one
Molecular Weight	206.32
Canonical SMILES	CCC(=O)C=CC1C(=CCCC1(C)C)C
InChI	InChI=1S/C14H22O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h7-9,13H,5-6,10H2,1-4H3/b9-8+
InChI Key	VPKMGDRERYMTJX-CMDGGOBGSA-N
Boiling Point	305.19 °C
Purity	98%+
Density	0.9282 g/mL at 20 °C(lit.)
Exact Mass	206.167065321
Isomeric SMILES	CCC(=O)/C=C/C1C(=CCCC1(C)C)C
Monoisotopic Mass	206.167065321
Odor	Woody, violet odor
Physical State	Liquid
Refractive Index	n20/D 1.6324(lit.)
Topological Polar Surface Area	17.1 Ų