CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Colourless to yellowish liquid; Fruity aroma with vanilla top notes |
|---|---|
| Boiling Point | 235.00 to 236.00 °C. @ 760.00 mm Hg |
| Solubility | Soluble in hexane, diethylether; insoluble in water |
| Density | 0.923-0.927 |
| Refractive Index | 1.448-1.454 |
| Kovats Retention Index | 1292 1292 |
COMPUTED DESCRIPTORS
| Molecular Weight | 170.25 g/mol |
|---|---|
| XLogP3 | 2.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 6 |
| Exact Mass | 170.130679813 g/mol |
| Monoisotopic Mass | 170.130679813 g/mol |
| Topological Polar Surface Area | 34.1 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 161 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
3-Methyl-2,4-nonanedione is a beta-diketone.