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.