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2351-90-8

2351-90-8 structural image
Product Name: ETHYL TRANS-2-OCTENOATE
Formula: C10H18O2
Synonyms: trans-2-Octenoic acid ethyl ester
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Liquid; Green-fruity aroma
Solubility Insoluble in water; soluble in fats
Density 0.888-0.894 (20°)
Refractive Index 1.439-1.445
Kovats Retention Index 1275 1231 1225 1225 1223 1223

COMPUTED DESCRIPTORS

Molecular Weight 170.25 g/mol
XLogP3 3.4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 7
Exact Mass 170.130679813 g/mol
Monoisotopic Mass 170.130679813 g/mol
Topological Polar Surface Area 26.3 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 139
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

Ethyl 2-octenoate is the fatty acid ethyl ester of 2-octenoic acid. It has a role as a metabolite.