Alpha-ionone

• CAS: 127-41-3
• Catalog Number: ACM127413
• Category: Other Products
• Molecular Weight: 192.3
• Molecular Formula: C13H20O
• Synonyms: Iraldeine
• IUPAC Name: (E)-4-(2,6,6-Trimethylcyclohex-2-en-1-yl)but-3-en-2-one
• 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
• 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
• Assay: 0.9999
• Exact Mass: 192.151415257
• Isomeric SMILES: CC1=CCCC(C1/C=C/C(=O)C)(C)C
• Monoisotopic Mass: 192.151415257
• Packaging: 1 kg
• Physical State: Liquid
• Refractive Index: n20/D 1.498(lit.)
• Storage Conditions: 2-8 °C
• Topological Polar Surface Area: 17.1 Ų