CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Colorless liquid; [ICSC] Colorless liquid with a strong odor; [Alfa Aesar MSDS] |
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Boiling Point | 114-121 °C |
Melting Point | -70 °C |
Flash Point | 9 °C |
Solubility | Solubility in water: none |
Vapor Pressure | 15.0 [mmHg] |
Autoignition Temperature | 230 °C |
Kovats Retention Index | 777 778 777 782 777 |
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 H412:Hazardous to the aquatic environment, long-term 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. P273:Avoid release to the environment. P331:Do NOT induce vomiting. P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. |
COMPUTED DESCRIPTORS
Molecular Weight | 110.20 g/mol |
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XLogP3 | 3.5 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 0 |
Rotatable Bond Count | 5 |
Exact Mass | 110.109550447 g/mol |
Monoisotopic Mass | 110.109550447 g/mol |
Topological Polar Surface Area | 0 Ų |
Heavy Atom Count | 8 |
Formal Charge | 0 |
Complexity | 52.4 |
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 |
PRODUCT INTRODUCTION
description
1,7-octadiene is an alkadiene that is octane carrying two double bonds at positions 1 and 7.