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53398-86-0

53398-86-0 structural image
Product Name: TRANS-2-HEXENYL HEXANOATE
Formula: C12H22O2
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Liquid
Boiling Point 125.00 °C. @ 25.00 mm Hg
Solubility Soluble in most fixed oils; Insoluble in water
Density 0.875-0.885
Refractive Index 1.432-1.446
Kovats Retention Index 1370 1379 1368 1337 1375

COMPUTED DESCRIPTORS

Molecular Weight 198.30 g/mol
XLogP3 3.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 9
Exact Mass 198.161979940 g/mol
Monoisotopic Mass 198.161979940 g/mol
Topological Polar Surface Area 26.3 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 162
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

2-Hexenyl hexanoate is a fatty acid ester.