CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | colourless to light yellow liquid with a coconut, fatty, fruity, peach, jasmine, woody, balsamic odour |
|---|---|
| Boiling Point | 115.00 °C. @ 2.00 mm Hg |
| Solubility | soluble in alcohol and ether; insoluble in water and fat |
| Density | 0.979-0.989 |
| Refractive Index | 1.477 |
| Kovats Retention Index | 2252 2245 2161 |
COMPUTED DESCRIPTORS
| Molecular Weight | 168.23 g/mol |
|---|---|
| XLogP3 | 2.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| 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 | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |