CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Clear colorless liquid; [Sigma-Aldrich MSDS] |
|---|---|
| Vapor Pressure | 6.25 [mmHg] |
| Kovats Retention Index | 873.5 871.4 863.4 869.6 870.74 870.98 872 872 872.35 872.61 872.89 871 869 872.1 874 869 870 870 872.2 872.3 869 871 871 872 876 874 874 871.9 874 870.7 870 871 869.5 871 873.1 873 865.7 867 873.5 880 872 872 872 871 874 872 872 |
| Chemical Classes | Solvents -> Aliphatics, Saturated (<C12) |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02  Health Hazard GHS08 |
| GHS Hazard Statements |
H226:Flammable liquids H304:Aspiration hazard |
| 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. P280:Wear protective gloves/protective clothing/eye protection/face protection. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P370+P378:In case of fire: Use … for extinction. P405:Store locked up. P403+P235:Store in a well-ventilated place. Keep cool. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
| Molecular Weight | 128.25 g/mol |
|---|---|
| XLogP3 | 4.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 5 |
| Exact Mass | 128.156500638 g/mol |
| Monoisotopic Mass | 128.156500638 g/mol |
| Topological Polar Surface Area | 0 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 48 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |