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6309-51-9

6309-51-9 structural image
Product Name: ISOAMYL LAURATE
Formula: C17H34O2
Synonyms: 3-Methylbutyl dodecanoate;Isopentyl dodecanoate
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Liquid
Boiling Point 311.00 to 312.00 °C. @ 760.00 mm Hg
Solubility soluble in alcohol; insoluble in water
Density 0.853-0.859
Refractive Index 1.434-1.439
Kovats Retention Index 1829

COMPUTED DESCRIPTORS

Molecular Weight 270.5 g/mol
XLogP3 7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 14
Exact Mass 270.255880323 g/mol
Monoisotopic Mass 270.255880323 g/mol
Topological Polar Surface Area 26.3 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 199
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

3-methylbutyl dodecanoate is a fatty acid ester obtained by the formal condensation of dodecanoic acid with 3-methylbutan-1-ol. It has a role as a metabolite. It is functionally related to an isoamylol.