CHEMICAL AND PHYSICAL PROPERTIES
Boiling Point | 112 °C |
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Flash Point | Flash point < 21 °C |
Solubility | Soluble in ethanol |
Density | 0.735 g/cu cm @ 25 °C |
Vapor Density | 3.87 (AIR= 1) |
Autoignition Temperature | 617 °F (325 °C) |
Kovats Retention Index | 751 752 752 752 |
Chemical Classes | Other Classes -> Aliphatics, Unsaturated |
SAFETY INFORMATION
Signal word | Danger |
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Pictogram(s) |
Flame Flammables GHS02 |
GHS Hazard Statements |
H225:Flammable liquids |
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. P241:Use explosion-proof electrical/ventilating/lighting/…/equipment. P242:Use only non-sparking tools. P243:Take precautionary measures against static discharge. 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. P403+P235:Store in a well-ventilated place. Keep cool. |
COMPUTED DESCRIPTORS
Molecular Weight | 112.21 g/mol |
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XLogP3 | 3.6 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 0 |
Rotatable Bond Count | 1 |
Exact Mass | 112.125200510 g/mol |
Monoisotopic Mass | 112.125200510 g/mol |
Topological Polar Surface Area | 0 Ų |
Heavy Atom Count | 8 |
Formal Charge | 0 |
Complexity | 91.1 |
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 |