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2809-67-8

2809-67-8 structural image
Product Name: 2-OCTYNE
Formula: C8H14
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 854 865 858.9 867 859 860 860 864 863 863 863 864 864 866 861 862 863 863 863 864 865 867 867 870 870

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Flame
Flammables
GHS02

Health Hazard
GHS08
GHS Hazard Statements H226:Flammable liquids
H304:Aspiration hazard
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P315:Get immediate medical advice/attention.
P301+P330+P331:IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.

COMPUTED DESCRIPTORS

Molecular Weight 110.20 g/mol
XLogP3 3.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 0
Rotatable Bond Count 3
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 89.1
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