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53398-87-1

53398-87-1 structural image
Product Name: C3 HEXENYL T2 HEXENOATE
Formula: C12H20O2
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Clear colourless liquid; fruity aroma
Boiling Point 114.00 to 115.00 °C. @ 15.00 mm Hg
Solubility insoluble in water; soluble in organic solvents
Density 0.897-0.905
Refractive Index 1.453-1.461
Kovats Retention Index 1401 1405

COMPUTED DESCRIPTORS

Molecular Weight 196.29 g/mol
XLogP3 3.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 8
Exact Mass 196.146329876 g/mol
Monoisotopic Mass 196.146329876 g/mol
Topological Polar Surface Area 26.3 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 193
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 2
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Cis-3-Hexenyl trans-2-hexenoate is a fatty acid ester.