CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | colourless to orange liquid; citrus-like aroma |
|---|---|
| Boiling Point | 180.00 °C. @ 1.00 mm Hg |
| Solubility | Insoluble in water; soluble in oils |
| Density | 0.917-0.923 |
| Refractive Index | 1.504-1.513 |
| Kovats Retention Index | 1664 1661 1671 1664 1673 1668 1673 1673 1671 1672 1675 1658 1673 1672 1671 1672 1671 1671 1671 1671 1671 |
COMPUTED DESCRIPTORS
| Molecular Weight | 218.33 g/mol |
|---|---|
| XLogP3 | 4.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 8 |
| Exact Mass | 218.167065321 g/mol |
| Monoisotopic Mass | 218.167065321 g/mol |
| Topological Polar Surface Area | 17.1 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 305 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Beta-Sinensal is a sesquiterpenoid.