CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Colourless liquid; Sweet, spicy aroma |
|---|---|
| Boiling Point | 149.00 to 150.00 °C. @ 760.00 mm Hg |
| Solubility | slightly |
| Density | 0.982-0.988 |
| Refractive Index | 1.449-1.455 |
| Kovats Retention Index | 876.1 |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
| Molecular Weight | 126.15 g/mol |
|---|---|
| XLogP3 | 1.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 126.068079557 g/mol |
| Monoisotopic Mass | 126.068079557 g/mol |
| Topological Polar Surface Area | 22.4 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 73.3 |
| 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 |