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7786-58-5

7786-58-5 structural image
Product Name: FEMA 2814
Formula: C13H26O2
Synonyms: n-Octyl-3-methyl butyrate
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description colourless liquid/apple-pineapple odour
Boiling Point 249.00 to 251.00 °C. @ 760.00 mm Hg
Solubility soluble in alcohol; insoluble in water
Density 0.86 (20°/20°)
Refractive Index 1.418-1.420
Kovats Retention Index 1420 1420 1420 1425

COMPUTED DESCRIPTORS

Molecular Weight 214.34 g/mol
XLogP3 4.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 10
Exact Mass 214.193280068 g/mol
Monoisotopic Mass 214.193280068 g/mol
Topological Polar Surface Area 26.3 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 153
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

Octyl 3-methyl-butanoate is a carboxylic ester.