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589-75-3

589-75-3 structural image
Product Name: BUTYL CAPRYLATE
Formula: C12H24O2
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 1373 1373 1373 1374 1378 1370 1373 1371 1372 1373

COMPUTED DESCRIPTORS

Molecular Weight 200.32 g/mol
XLogP3 4.4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 10
Exact Mass 200.177630004 g/mol
Monoisotopic Mass 200.177630004 g/mol
Topological Polar Surface Area 26.3 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 132
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Butyl octanoate is an octanoate ester obtained by the formal condensation of the carboxy group of octanoic acid with the hydroxy group of butanol. It has a role as a metabolite. It is functionally related to a butan-1-ol.