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.