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34047-39-7

34047-39-7 structural image
Product Name: 4-Methylthio-2-butanone
Formula: C5H10OS
Synonyms: potato butanone
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description sweet, sulfurous, fruity flavor like arrowhead
Boiling Point 105.00 to 107.00 °C. @ 55.00 mm Hg
Solubility insoluble in water
Density 1.000-1.007
Refractive Index 1.470-1.481
Kovats Retention Index 962

SAFETY INFORMATION

Signal word Warning
GHS Hazard Statements H227:Flammable liquids
Precautionary Statement Codes P403+P235:Store in a well-ventilated place. Keep cool.

COMPUTED DESCRIPTORS

Molecular Weight 118.20 g/mol
XLogP3 0.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 3
Exact Mass 118.04523611 g/mol
Monoisotopic Mass 118.04523611 g/mol
Topological Polar Surface Area 42.4 Ų
Heavy Atom Count 7
Formal Charge 0
Complexity 61.1
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

4-(Methylthio)-2-butanone is a ketone.