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939-48-0

939-48-0 structural image
Product Name: Isopropyl Benzoate
Formula: C10H12O2
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description colourless oily liquid with a heavy, sweet, fruity-floral odour
Boiling Point 215.00 to 218.00 °C. @ 760.00 mm Hg
Solubility insoluble in water; soluble in organic solvents, oils
Density 1.005-1.011
LogP 3.18
Refractive Index 1.492-1.497
Kovats Retention Index 1183 1186 1191 1189 1172 1185 1223 1192 1194 1205 1189 1177 1188.6 1193

COMPUTED DESCRIPTORS

Molecular Weight 164.20 g/mol
XLogP3 3.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 3
Exact Mass 164.083729621 g/mol
Monoisotopic Mass 164.083729621 g/mol
Topological Polar Surface Area 26.3 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 146
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

Isopropyl benzoate is a benzoate ester.