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6728-31-0

6728-31-0 structural image
Product Name: CIS-4-HEPTENAL
Formula: C7H12O
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Clear light yellow liquid; [Sigma-Aldrich MSDS]
Boiling Point 60.00 °C. @ 30.00 mm Hg
Solubility soluble in alcohol and most fixed oils; insoluble in water
Density 0.843-0.855
Refractive Index 1.432-1.436
Kovats Retention Index 871.6 879 880 870 871 885 874
Chemical Classes Other Classes -> Aldehydes

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Flame
Flammables
GHS02
GHS Hazard Statements H226:Flammable liquids
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.
P241:Use explosion-proof electrical/ventilating/lighting/…/equipment.
P242:Use only non-sparking tools.
P243:Take precautionary measures against static discharge.

COMPUTED DESCRIPTORS

Molecular Weight 112.17 g/mol
XLogP3 1.4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 4
Exact Mass 112.088815002 g/mol
Monoisotopic Mass 112.088815002 g/mol
Topological Polar Surface Area 17.1 Ų
Heavy Atom Count 8
Formal Charge 0
Complexity 74.5
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes