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16491-54-6

16491-54-6 structural image
Product Name: 1-OCTEN-3-YL BUTYRATE
Formula: C12H22O2
Synonyms: Butanoic acid 1-octen-3-yl ester
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Colourless liquid; Sweet, fruity, buttery, mushroom aroma
Boiling Point 225.00 to 227.00 °C. @ 760.00 mm Hg
Solubility Insoluble in water; soluble in oils; slightly soluble in propylene glycol
Density 0.870-0.879
Refractive Index 1.423-1.428

COMPUTED DESCRIPTORS

Molecular Weight 198.30 g/mol
XLogP3 4
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 164
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

1-Ethenylhexyl butanoate is a fatty acid ester.