CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | White solid; [Merck Index] |
|---|---|
| Color/Form | White acicular crystals |
| Odor | Aromatic odor |
| Taste | Clove-like taste |
| Boiling Point | 238 °C |
| Melting Point | 52-53 °C |
| Solubility | Slightly soluble in water; freely sol in alcohol, ether |
| Density | 1.1064 at 20 °C/4 °C |
| Vapor Pressure | 0.02 [mmHg] |
| LogP | log Kow = 2.30 |
| Henry's Law Constant | Henry's law constant = 2.9X10-8 atm-cu m/mole at 25 °C /Estimated/ |
| Decomposition | When heated to decomposition it emit toxic fumes of /nitrogen oxide/. |
| Refractive Index | Index of refraction: 1.1064 at 20 °C/D: Maximum absorption (alcohol) 235.5 nm (log epsilon=4.23); 274 nm (log epsilon=2.93) |
| Kovats Retention Index | 1391 1391 1392 1396 1404 1381 1401 1418 |
| Other Experimental Properties | Slight decomposition at bp. Scarcely attacked by boiling for short time with hydrochloric acid or with sodium hydroxide |
| Chemical Classes | Pesticides -> Plant Growth Regulators |
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 | 165.19 g/mol |
|---|---|
| XLogP3 | 2.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 165.078978594 g/mol |
| Monoisotopic Mass | 165.078978594 g/mol |
| Topological Polar Surface Area | 38.3 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 142 |
| 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 |