CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Liquid; bp = 34-36 deg C; [MSDSonline] |
|---|---|
| Vapor Pressure | 517.0 [mmHg] |
| Kovats Retention Index | 482 483 |
| Chemical Classes | Other Classes -> Other Organic Compounds |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02  Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H224:Flammable liquids H302:Acute toxicity,oral |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P233:Keep container tightly closed. P240:Ground/bond container and receiving equipment. P241:Use explosion-proof electrical/ventilating/lighting/…/equipment. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P403+P235:Store in a well-ventilated place. Keep cool. |
COMPUTED DESCRIPTORS
| Molecular Weight | 72.11 g/mol |
|---|---|
| XLogP3 | 1.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 72.057514874 g/mol |
| Monoisotopic Mass | 72.057514874 g/mol |
| Topological Polar Surface Area | 9.2 Ų |
| Heavy Atom Count | 5 |
| Formal Charge | 0 |
| Complexity | 38.9 |
| 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 |