CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | 1,5,9-cyclododecatriene appears as a colorless liquid. Toxic by skin absorption and ingestion and irritating to skin and eyes. Used to make other chemicals. |
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Color/Form | Colorless |
Odor | Terpene-like odor |
Boiling Point | 447.8 °F at 760 mmHg (USCG, 1999) |
Melting Point | -0.4 °F (USCG, 1999) |
Flash Point | 160 °F (USCG, 1999) |
Density | 0.8925 (USCG, 1999) - Less dense than water; will float |
Vapor Pressure | 0.08 [mmHg] |
LogP | log Kow = 5.50 |
Autoignition Temperature | 244 °C |
Refractive Index | Index of refraction: 1.508 at 20 °C/D |
Other Experimental Properties | BP: 110 °C at 2.7 kPa; MP: 34 °C. Relative density: 0.864 at 40 °C/4 °C |
Chemical Classes | Other Classes -> Aliphatics, Unsaturated |
SAFETY INFORMATION
Signal word | Danger |
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Pictogram(s) |
Skull and Crossbones Acute Toxicity GHS06 Environment GHS09 |
GHS Hazard Statements |
H227:Flammable liquids H331:Acute toxicity,inhalation H411:Hazardous to the aquatic environment, long-term hazard |
Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P271:Use only outdoors or in a well-ventilated area. P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P391:Collect spillage. Hazardous to the aquatic environment P370+P378:In case of fire: Use … for extinction. P405:Store locked up. P403+P233:Store in a well-ventilated place. Keep container tightly closed. P403+P235:Store in a well-ventilated place. Keep cool. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
Molecular Weight | 162.27 g/mol |
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XLogP3 | 4.5 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 0 |
Rotatable Bond Count | 0 |
Exact Mass | 162.140850574 g/mol |
Monoisotopic Mass | 162.140850574 g/mol |
Topological Polar Surface Area | 0 Ų |
Heavy Atom Count | 12 |
Formal Charge | 0 |
Complexity | 121 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 3 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
1,5,9-cyclododecatriene appears as a colorless liquid. Toxic by skin absorption and ingestion and irritating to skin and eyes. Used to make other chemicals.