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4904-61-4

4904-61-4 structural image
Product Name: Cyclododeca-1,5,9-triene
Formula: C12H18
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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.
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
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
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.