CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Liquid; [Sigma-Aldrich MSDS] |
|---|---|
| Kovats Retention Index | 846.5 853.1 854.9 857 858 853.5 856.05 856.89 857.42 853 867 835 858 860 862 857.2 857.3 853 854 858 856 860 858 853.8 855 856 855.7 856 857.7 855.8 864 859 853 856 860 |
| 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 | 4.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 4 |
| 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 | 55.1 |
| 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 |