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23747-45-7

23747-45-7 structural image
Product Name: S-Methyl isovalerate
Formula: C6H12OS
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description colourless liquid
Boiling Point 157.00 to 158.00 °C. @ 760.00 mm Hg
Solubility insoluble in water; soluble in peanut oil and ethanol
Density 0.935-0.940
Refractive Index 1.455-1.461
Kovats Retention Index 923 913 921

COMPUTED DESCRIPTORS

Molecular Weight 132.23 g/mol
XLogP3 1.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 3
Exact Mass 132.06088618 g/mol
Monoisotopic Mass 132.06088618 g/mol
Topological Polar Surface Area 42.4 Ų
Heavy Atom Count 8
Formal Charge 0
Complexity 78.6
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

S-Methyl 3-methylthiobutyrate is a thiocarboxylic ester.