CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Liquid |
|---|---|
| Color/Form | Clear, colorless liquid |
| Boiling Point | 205 °C |
| Melting Point | -57 °C |
| Flash Point | 77 °C |
| Solubility | Sol in all proportions of alcohol, ether, acetone and benzene. |
| Density | 0.9 (water=1) |
| Vapor Density | 5.6 (Air= 1) |
| Vapor Pressure | 0.25 to 0.39 mm Hg at 25 °C |
| LogP | 5.2 |
| Autoignition Temperature | 840 °F |
| Decomposition | When heated to decomposition it emits acrid smoke and irritating fumes. |
| Kovats Retention Index | 1153.05 1150 1152 1157 1162 1152.4 1157.2 1162.2 1153 1157 1151 |
| Other Experimental Properties | HLB /Hydrophile-Lipophile Balance/ Value: 15 |
| Chemical Classes | Solvents -> Aromatic Solvents |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Health Hazard GHS08  Environment GHS09 |
| GHS Hazard Statements |
H227:Flammable liquids H315:Skin corrosion/irritation H320:Serious eye damage/eye irritation H373:Specific target organ toxicity, repeated exposure H410:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P260:Do not breathe dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P314:Get medical advice/attention if you feel unwell. P391:Collect spillage. Hazardous to the aquatic environment 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 | 162.27 g/mol |
|---|---|
| XLogP3 | 4.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 2 |
| Exact Mass | 162.140850574 g/mol |
| Monoisotopic Mass | 162.140850574 g/mol |
| Topological Polar Surface Area | 0 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 108 |
| 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 |