Alpha-ionone

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Catalog Number
ACM127413
Product Name
Alpha-ionone
Structure
Structure
CAS
127-41-3
Category
Heterocyclic Organic Compound
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
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
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