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Basic information

  • Name:
  • 1,4-Cyclohexanedione

  • CAS No.:
  • 637-88-7

  • Molecular Structure:
  • Formula:
  • C6H8O2
  • Molecular Weight:
  • 112.12
  • Synonyms:
  • 1,4-Dioxocyclohexane;Tetrahydroquinone;Cyclohexan-1,4-dione;1,4-Cyclohexane Dione;1,4-Cyclohexanedione(CAS:637-88-7);
  • EINECS:
  • 211-306-0
  • Density:
  • 1.128 g/cm3
  • Melting Point:
  • 77-78.5 °C(lit.)
  • Boiling Point:
  • 226.66 °C at 760 mmHg
  • Flash Point:
  • 82.157 °C
  • Appearance:
  • tan or yellow crystalline powder
  • Hazard Symbols:
  • IrritantXi
  • Safety Description:
  • 22-24/25 Details

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Chemistry

The Molecular Structure of 1,4-Cyclohexanedione (CAS NO.637-88-7):

Empirical Formula: C6H8O2
Molecular Weight: 112.1265
Nominal Mass: 112 Da
Average Mass: 112.1265 Da
Monoisotopic Mass: 112.052429 Da 
Index of Refraction: 1.473
Molar Refractivity: 27.93 cm3
Molar Volume: 99.4 cm3
Surface Tension: 40.5 dyne/cm
Density: 1.127 g/cm3
Flash Point: 82.2 °C
Enthalpy of Vaporization: 46.32 kJ/mol
Boiling Point: 226.7 °C at 760 mmHg
Vapour Pressure: 0.0809 mmHg at 25°C 
Melting Point: 76-80°C
IUPAC Name: cyclohexane-1,4-dione     
Appearance: tan or yellow crystalline powder
Synonyms: 1,4-Cyclohexanedion;1,4-Dioxocyclohexane;Tetrahydroquinone;Tetrahydro-p-benzoquinone;1,4-Cyclohexandione;1,4-Tetrahydroquinone;Cyclohexane-1,4-dione;CHD
Product Categories: ketone;Pharmaceutical Intermediate;C3 to C6;Carbonyl Compounds;Ketones

History

 1,4-Cyclohexanedione (CAS NO.637-88-7) is prepared in two steps from diesters of succinic acid. For example under basic conditions, the diethyl ester condenses to give 2,5-dicarbethoxy-1,4-cyclohexanedione. This intermediate can be hydrolysed and decarboxylated to afford the desired dione.

Uses

 1,4-Cyclohexanedione (CAS NO.637-88-7) is used as a building block in the synthesis of more complex molecules.

Production

 1,4-Cyclohexanedione (CAS NO.637-88-7) is prepared in two steps from diesters of succinic acid.Under basic conditions, the diethyl ester condenses to give 2,5-dicarbethoxy-1,4-cyclohexanedione. This intermediate can be hydrolysed and decarboxylated to afford the desired dione.

Safety Profile

Hazard Codes: IrritantXi
Safety Statements: 22-24/25 
S22:Do not breathe dust
S24/25:Avoid contact with skin and eyes
WGK Germany: 3
F: 8
Hazard Note: Irritant
HS Code: 29142900
Do not breathe the dust of 1,4-Cyclohexanedione (CAS NO.637-88-7).
Avoid 1,4-Cyclohexanedione (CAS NO.637-88-7) contact with skin and with eyes.

Specification

 1,4-Cyclohexanedione (CAS NO.637-88-7) is the organic compound. This colourless solid is one of the three isomeric cyclohexanediones. This particular diketone is used as a building block in the synthesis of more complex molecules.

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