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31499-72-6

31499-72-6 structural image
Product Name: DIHYDO-ALPHA-IONONE
Formula: C13H22O
Synonyms: 4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-2-butanone
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description colourless to pale yellow, oily liquid
Solubility 1 ml in 1 ml 80% alcohol (in ethanol)
Density 0.919-0.927
Refractive Index 1.476-1.482
Kovats Retention Index 1437 1406 1425 1406

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 194.31 g/mol
XLogP3 2.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 3
Exact Mass 194.167065321 g/mol
Monoisotopic Mass 194.167065321 g/mol
Topological Polar Surface Area 17.1 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 248
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

7,8-Dihydro-alpha-ionone is a sesquiterpenoid.