dodec-1-ene

Compound Structure:

Synonyms:

dodec-1-ene; 1-DODECENE; Adacene 12; Dodecene-1; Dodecylene; alpha-Dodecene; alpha-Dodecylene; Neodene 12; Dodecylene-alpha.-; DODECENE, 1-; dodec-11-ene

Compound ID:

NMPC-980

PubChem ID:

8183

Molecular Formula:

C12H24

Canonical SMILES:

CCCCCCCCCCC=C

InChIKey:

CRSBERNSMYQZNG-UHFFFAOYSA-N

About the compound:

1-dodecene is an alkene that is dodecane containing one double bond at position 1. It is an intermediate used in the production of lubricants and surfactants. It has a role as a human metabolite and a mammalian metabolite. It is a dodecene and a volatile organic compound.

GHS Hazard Statements

• H304 (99.91%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]

• H315 (29.17%): Causes skin irritation [Warning Skin corrosion/irritation]

First Aid

• Inhalation: Move victim to fresh air.

• Ingestion: Do not induce vomiting or lavage. Give vegetable oil and demulcents, call physician.

• Eye contact: Flush with water for 15 minutes.

• Skin contact: Wash with soap and water. (USCG, 1999)

U.S. Coast Guard. 1999. Chemical Hazard Response Information System (CHRIS) - Hazardous Chemical Data. Commandant Instruction 16465.12C. Washington, D.C.: U.S. Government Printing Office.

Properties:

Chemical and Physical Properties

Property Name	Property Value
Molecular Weight	168.32 g/mol
XLogP3	6.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	9
Exact Mass	168.187800766 g/mol
Monoisotopic Mass	168.187800766 g/mol
Topological Polar Surface Area	0Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	84
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
Physical Description	1-dodecene appears as a clear colorless liquid with a mild, pleasnat odor. Insoluble in water and floats on water. Harmful or fatal by ingestion. Inhalation of vapors may irritate and damage lungs. High concentrations may have a narcotic effect.
Boiling Point	415 °F at 760 mmHg (USCG, 1999)
Melting Point	-31 °F (USCG, 1999)
Density	0.758 at 68 °F (USCG, 1999) - Less dense than water; will float
Solubility	Insoluble in water; sol in ethanol, ethyl ether, and acetone
Vapor Pressure	0.15 [mmHg]

Source: PubChem

Source Species:

Smilax kraussiana
Dioscorea dumetorum

Download SDF