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4437-51-8

4437-51-8 structural image
Product Name: 3,4-Hexanedione
Formula: C6H10O2
Synonyms: Hexane-3,4-dione
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Liquid
Boiling Point 123.00 to 125.00 °C. @ 760.00 mm Hg
Melting Point -10 °C
Solubility slightly
Density 0.941-0.950 (20°)
Refractive Index 1.408-1.413
Kovats Retention Index 773.4 777 777

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Flame
Flammables
GHS02
GHS Hazard Statements H226:Flammable liquids
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.

COMPUTED DESCRIPTORS

Molecular Weight 114.14 g/mol
XLogP3 0.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 3
Exact Mass 114.068079557 g/mol
Monoisotopic Mass 114.068079557 g/mol
Topological Polar Surface Area 34.1 Ų
Heavy Atom Count 8
Formal Charge 0
Complexity 91.1
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

3,4-Hexanedione is an alpha-diketone.