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624-42-0

624-42-0 structural image
Product Name: 2-METHYL-5-HEPTANONE
Formula: C8H16O
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CHEMICAL AND PHYSICAL PROPERTIES

Boiling Point 164 °C
Solubility Soluble in ethanol, ether, benzene, carbon tetrachloride, organic solvents
Density 0.8304 g/cu cm at 20 °C
Vapor Pressure 2.75 [mmHg]
Refractive Index Index of refraction: 1.4209 at 20 °C/D
Kovats Retention Index 941
Chemical Classes Solvents -> Ketones (<C12)

COMPUTED DESCRIPTORS

Molecular Weight 128.21 g/mol
XLogP3 2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 4
Exact Mass 128.120115130 g/mol
Monoisotopic Mass 128.120115130 g/mol
Topological Polar Surface Area 17.1 Ų
Heavy Atom Count 9
Formal Charge 0
Complexity 84.6
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

6-Methylheptan-3-one is a natural product found in Origanum hypericifolium with data available.