CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Liquid; [Sigma-Aldrich MSDS] |
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Vapor Pressure | 223.0 [mmHg] |
Kovats Retention Index | 604.6 616.7 611.2 |
Chemical Classes | Other Classes -> Aliphatics, Unsaturated |
SAFETY INFORMATION
Signal word | Danger |
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Pictogram(s) |
Flame Flammables GHS02 Exclamation Mark Irritant GHS07 Health Hazard GHS08 |
GHS Hazard Statements |
H225:Flammable liquids H304:Aspiration hazard H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P302+P352:IF ON SKIN: wash with plenty of soap and water. 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 | 84.16 g/mol |
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XLogP3 | 2.4 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 0 |
Rotatable Bond Count | 1 |
Exact Mass | 84.093900383 g/mol |
Monoisotopic Mass | 84.093900383 g/mol |
Topological Polar Surface Area | 0 Ų |
Heavy Atom Count | 6 |
Formal Charge | 0 |
Complexity | 42 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 1 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |