CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Clear colorless liquid; [Sigma-Aldrich MSDS] |
---|---|
Kovats Retention Index | 881 847 853 868 875 |
Chemical Classes | Solvents -> Aliphatics, Saturated (<C12) |
SAFETY INFORMATION
Signal word | Danger |
---|---|
Pictogram(s) |
Flame Flammables GHS02 Exclamation Mark Irritant GHS07 Environment GHS09 |
GHS Hazard Statements |
H225:Flammable liquids H302:Acute toxicity,oral H319:Serious eye damage/eye irritation H400:Hazardous to the aquatic environment, acute hazard |
Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P273:Avoid release to the environment. 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 | 126.24 g/mol |
---|---|
XLogP3 | 4 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 0 |
Rotatable Bond Count | 0 |
Exact Mass | 126.140850574 g/mol |
Monoisotopic Mass | 126.140850574 g/mol |
Topological Polar Surface Area | 0 Ų |
Heavy Atom Count | 9 |
Formal Charge | 0 |
Complexity | 86 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 3 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |