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:
Xi- 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:
Xi
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.

