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33855-57-1

33855-57-1 structural image
Product Name: FEMA 3692
Formula: C12H22O2
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Colourless liquid; Fruity, green, slightly fatty aroma
Boiling Point 246.00 to 247.00 °C. @ 760.00 mm Hg
Solubility slightly
Density 0.880-0.890
Refractive Index 1.439-1.445
Kovats Retention Index 1741 1742

COMPUTED DESCRIPTORS

Molecular Weight 198.30 g/mol
XLogP3 4.2
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

Hexyl 2E-hexenoate is a fatty acid ester.