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99-72-9

99-72-9 structural image
Product Name: FEMA 3078
Formula: C10H12O
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Colourless oily liquid; Intense, sweet, refreshing aroma similar to peppermint
Boiling Point 222.00 to 224.00 °C. @ 760.00 mm Hg
Solubility Soluble in oils; Insoluble in water
Density 0.979-0.985
Refractive Index 1.513-1.517
Kovats Retention Index 1210

COMPUTED DESCRIPTORS

Molecular Weight 148.20 g/mol
XLogP3 2.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 2
Exact Mass 148.088815002 g/mol
Monoisotopic Mass 148.088815002 g/mol
Topological Polar Surface Area 17.1 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 123
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

2-(4-Methylphenyl)propanal is a natural product found in Mangifera indica and Petroselinum crispum with data available.