CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Pale yellow liquid with a fruity odor; [HSDB] |
|---|---|
| Color/Form | PALE YELLOW LIQUID |
| Odor | FRUITY ODOR |
| Boiling Point | 307 °C |
| Melting Point | -80 °C |
| Solubility | PRACTICALLY INSOL IN WATER & IN DILUTE ALKALI; MISCIBLE WITH PETROLEUM OILS, TOLUENE, XYLENE, ETHANOL |
| Density | 1.10 @ 20 °C/4 °C |
| Stability/Shelf Life | STABLE FOR LONG PERIODS IN DRUMS |
| Chemical Classes | Pesticides -> Insect Repellents |
COMPUTED DESCRIPTORS
| Molecular Weight | 204.26 g/mol |
|---|---|
| XLogP3 | 2.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 204.115029749 g/mol |
| Monoisotopic Mass | 204.115029749 g/mol |
| Topological Polar Surface Area | 26.3 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 331 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |