Alpha-ionone

Catalog	ACM127413
CAS	127-41-3
Structure
Synonyms	Iraldeine
IUPAC Name	(E)-4-(2,6,6-Trimethylcyclohex-2-en-1-yl)but-3-en-2-one
Molecular Weight	192.3
Molecular Formula	C13H20O
Canonical SMILES	CC1=CCCC(C1C=CC(=O)C)(C)C
InChI	InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6-8,12H,5,9H2,1-4H3/b8-7+
InChI Key	UZFLPKAIBPNNCA-BQYQJAHWSA-N
Boiling Point	259-263 °C
Melting Point	25 °C
Flash Point	230 °F
Purity	98%+
Density	0.93 g/mL at 25 °C(lit.)
Solubility	Soluble in alcohol, most fixed oils, propylene glycol; insoluble in glycerin
Appearance	Colorless liquid with a woody, violet odor
Exact Mass	192.151415257
Isomeric SMILES	CC1=CCCC(C1/C=C/C(=O)C)(C)C
Monoisotopic Mass	192.151415257
Physical State	Liquid
Refractive Index	n20/D 1.498(lit.)
Storage Conditions	2-8 °C
Topological Polar Surface Area	17.1 Ų