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2396-85-2

2396-85-2 structural image
Product Name: trans-2-Octenoic acid methyl ester
Formula: C9H16O2
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Colourless liquid; Fruity, green aroma
Boiling Point 70.00 °C. @ 4.00 mm Hg
Solubility Slightly soluble in water; soluble in fats
Density 0.896-0.900
Refractive Index 1.437-1.448
Kovats Retention Index 1149 1151 1150 1150

COMPUTED DESCRIPTORS

Molecular Weight 156.22 g/mol
XLogP3 3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 6
Exact Mass 156.115029749 g/mol
Monoisotopic Mass 156.115029749 g/mol
Topological Polar Surface Area 26.3 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 128
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

Methyl 2-octenoate is a fatty acid ester.