CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Clear, colorless liquid; [Aldrich MSDS] |
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Kovats Retention Index | 611 610 610 608 610.4 614 615 617 614.5 615.9 611 611 614 607 611 608 608 605 |
Chemical Classes | Other Classes -> Aliphatics, Unsaturated |
SAFETY INFORMATION
Signal word | Danger |
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Pictogram(s) |
Flame Flammables GHS02 Health Hazard GHS08 |
GHS Hazard Statements |
H225:Flammable liquids H304:Aspiration hazard |
Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. |
COMPUTED DESCRIPTORS
Molecular Weight | 98.19 g/mol |
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XLogP3 | 3.1 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 0 |
Rotatable Bond Count | 2 |
Exact Mass | 98.109550447 g/mol |
Monoisotopic Mass | 98.109550447 g/mol |
Topological Polar Surface Area | 0 Ų |
Heavy Atom Count | 7 |
Formal Charge | 0 |
Complexity | 54.9 |
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 |