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79-78-7

79-78-7 structural image
Product Name: Allyl-α-ionone
Formula: C16H24O
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Melting Point < 25 °C
Solubility soluble in alcohol; insoluble in water
Density 0.926-0.935
Refractive Index 1.502-1.507
Kovats Retention Index 1664 1664.5 1605 1679 1689 1734

COMPUTED DESCRIPTORS

Molecular Weight 232.36 g/mol
XLogP3 4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 5
Exact Mass 232.182715385 g/mol
Monoisotopic Mass 232.182715385 g/mol
Topological Polar Surface Area 17.1 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 345
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-1,6-heptadien-3-one is a sesquiterpenoid.