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1322-70-9

1322-70-9 structural image
Product Name: METHYL IONONE GAMMA
Formula: C14H22O
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-1-penten-3-one is a clear, colorless to yellow liquid with a woody, violet odor. (NTP, 1992)
Boiling Point 291 °F at 16 mmHg (NTP, 1992)
Flash Point greater than 200 °F (NTP, 1992)
Solubility less than 1 mg/mL at 68 °F (NTP, 1992)
Density 0.93 at 77 °F (NTP, 1992) - Less dense than water; will float
Vapor Density greater than 1 (NTP, 1992) (Relative to Air)
Refractive Index 1.498-1.503
Kovats Retention Index 1503.2

COMPUTED DESCRIPTORS

Molecular Weight 206.32 g/mol
XLogP3 3.4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 3
Exact Mass 206.167065321 g/mol
Monoisotopic Mass 206.167065321 g/mol
Topological Polar Surface Area 17.1 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 295
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-penten-3-one is a clear, colorless to yellow liquid with a woody, violet odor. (NTP, 1992)