CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Colourless liquid with a sweet, floral, somewhat pungent, aroma |
|---|---|
| Boiling Point | 220.00 to 224.00 °C. @ 744.00 mm Hg |
| Solubility | Insoluble in water; soluble in oils |
| Density | 0.928-0.933 (10°) |
| Refractive Index | 1.480-1.485 |
| Kovats Retention Index | 1238 |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H227:Flammable liquids |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P280:Wear protective gloves/protective clothing/eye protection/face protection. P370+P378:In case of fire: Use … for extinction. P403+P235:Store in a well-ventilated place. Keep cool. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
| Molecular Weight | 164.24 g/mol |
|---|---|
| XLogP3 | 2.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 5 |
| Exact Mass | 164.120115130 g/mol |
| Monoisotopic Mass | 164.120115130 g/mol |
| Topological Polar Surface Area | 9.2 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 95.2 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |