CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Mobile greenish-yellow liquid; Earthy, spicy aroma |
|---|---|
| Solubility | Insoluble in water, propylene glycol; Soluble in oils |
| Density | 0.912-0.918 |
| Refractive Index | 1.503-1.509 |
| Kovats Retention Index | 1469 1483 1490 1482 1483 1462 1482 1533 1484 1473 1533 1478 1488 1478 1490 1529 1458 1504 1490 1486 1482 1513 1476 1462 1475 1465 1482 1482 |
COMPUTED DESCRIPTORS
| Molecular Weight | 204.35 g/mol |
|---|---|
| XLogP3 | 4.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 0 |
| Exact Mass | 204.187800766 g/mol |
| Monoisotopic Mass | 204.187800766 g/mol |
| Topological Polar Surface Area | 0 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 313 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| 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
beta-Guaiene is a natural product found in Croton grewioides, Pogostemon cablin, and other organisms with data available.