CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | clear, pale yellow liquid with a sweet, herbaceous odour |
|---|---|
| Boiling Point | 286.00 to 287.00 °C. @ 760.00 mm Hg |
| Solubility | soluble in alcohol and fat; insoluble in water |
| Density | 0.947-0.987 (20°/20°) |
| Refractive Index | 1.462-1.482 |
| Kovats Retention Index | 1433 1442 1446 1499 |
COMPUTED DESCRIPTORS
| Molecular Weight | 168.23 g/mol |
|---|---|
| XLogP3 | 3.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 168.115029749 g/mol |
| Monoisotopic Mass | 168.115029749 g/mol |
| Topological Polar Surface Area | 26.3 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 173 |
| 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
Massoia lactone is a natural product found in Allium cepa and Perilla frutescens with data available.