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103-93-5

103-93-5 structural image
Product Name: P-TOLYL ISOBUTYRATE
Formula: C11H14O2
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Colourless liquid, fruity odour
Solubility insoluble in water; soluble in oils
Density 0.990-0.997
Refractive Index 1.484-1.490
Kovats Retention Index 1289 1289.1 1291 1291

COMPUTED DESCRIPTORS

Molecular Weight 178.23 g/mol
XLogP3 3.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 3
Exact Mass 178.099379685 g/mol
Monoisotopic Mass 178.099379685 g/mol
Topological Polar Surface Area 26.3 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 167
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

P-Tolyl isobutyrate is a benzoate ester and a member of phenols.