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591-21-9

591-21-9 structural image
Product Name: 1,3-DIMETHYLCYCLOHEXANE
Formula: C8H16
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Colorless liquid; [Acros Organics MSDS]
Vapor Pressure 21.4 [mmHg]
Kovats Retention Index 782 788 802 785 806 782 792 775 780
Chemical Classes Solvents -> Aliphatics, Saturated (<C12)

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Flame
Flammables
GHS02

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H225:Flammable liquids
H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P302+P352:IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 112.21 g/mol
XLogP3 3.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 0
Rotatable Bond Count 0
Exact Mass 112.125200510 g/mol
Monoisotopic Mass 112.125200510 g/mol
Topological Polar Surface Area 0 Ų
Heavy Atom Count 8
Formal Charge 0
Complexity 58.4
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 2
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes