CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-1-penten-3-one is a clear, colorless to yellow liquid with a woody, violet odor. (NTP, 1992) |
|---|---|
| Boiling Point | 291 °F at 16 mmHg (NTP, 1992) |
| Flash Point | greater than 200 °F (NTP, 1992) |
| Solubility | less than 1 mg/mL at 68 °F (NTP, 1992) |
| Density | 0.93 at 77 °F (NTP, 1992) - Less dense than water; will float |
| Vapor Density | greater than 1 (NTP, 1992) (Relative to Air) |
| Refractive Index | 1.498-1.503 |
| Kovats Retention Index | 1503.2 |
COMPUTED DESCRIPTORS
| Molecular Weight | 206.32 g/mol |
|---|---|
| XLogP3 | 3.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 3 |
| Exact Mass | 206.167065321 g/mol |
| Monoisotopic Mass | 206.167065321 g/mol |
| Topological Polar Surface Area | 17.1 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 295 |
| 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 |
PRODUCT INTRODUCTION
description
1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-1-penten-3-one is a clear, colorless to yellow liquid with a woody, violet odor. (NTP, 1992)