1,2,3,4,5,6-Cyclohexanehexone

Basic Information

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CAS Number

527-31-1

Molecular Formula

C6O6

Molecular Weight

168.06 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Physical Properties

Melting Point

99 °C (dec.)

Boiling Point

344.7 °C at 760 mmHg

Density

1.967

Flash Point

151.9 °C

SMILES

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C1(=O)C(=O)C(=O)C(=O)C(=O)C1=O

InChI

InChI=1S/C6O6/c7-1-2(8)4(10)6(12)5(11)3(1)9

InChIKey

PKRGYJHUXHCUCN-UHFFFAOYSA-N

LogP

-2.5854000000000004

Topological Polar Surface Area

102.41999999999999 Å²

Hydrogen Bond Donor/Acceptor

0 / 6

Complexity

243

Safety Information

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Sensitiveness

thermally sensitive

Synonyms & References

English

NSC65879
MFCD00001652
Hexaoxocyclohexane
D70058
NSC-65879
HEXAKETOCYCLOHEXANE OCTAHYDRATE 97
cyclohexane-1,2,3,4,5,6-hexaone
A829230
Trichinoyl
Cyclohexane-hexone, octahydrate
Cyclohexanehexone
NSC 65879
T0876
FT-0624188
1,2,3,4,5,6-Cyclohexanehexone
J6.668K
Triquinoyl
hexaketocyclohexane
DS-7368
EINECS 208-412-4
cyclohexane-1,2,3,4,5,6-hexone
Q587285
NCIOpen2_000277
DTXSID80200662
SY057120
NS00042890
UNII-7ZR8062LFD
527-31-1
Cyclohexanehexaone
7ZR8062LFD
AKOS006230066

MDL Number

MFCD00001652

Customs Code

2914299000

FAQ

What are the physical and chemical properties of 1,2,3,4,5,6-Cyclohexanehexone (CAS: 527-31-1)?

1,2,3,4,5,6-Cyclohexanehexone (CAS: 527-31-1) is a colorless liquid with a molecular weight of approximately 136.16 g/mol. Its solubility in water is low, and it is highly soluble in organic solvents like ethanol and acetone. It is moderately reactive, capable of undergoing oxidation and reduction reactions. It crystallizes as a white, hygroscopic powder under certain conditions.

How is 1,2,3,4,5,6-Cyclohexanehexone (CAS: 527-31-1) typically synthesized?

1,2,3,4,5,6-Cyclohexanehexone is typically synthesized via the oxidation of 1,2,3,4,5,6-hexahydroxyhexane using oxidizing agents like potassium permanganate or chlorine. The reaction is carried out in a polar solvent such as water or methanol. The yield of the product can be improved by using selective oxidizing agents and appropriate reaction conditions.

What industries use 1,2,3,4,5,6-Cyclohexanehexone (CAS: 527-31-1)?

1,2,3,4,5,6-Cyclohexanehexone (CAS: 527-31-1) is used in the pharmaceutical industry for the synthesis of certain drug intermediates, in the polymer industry as a monomer in the production of specific polymers, and in the chemical industry for various organic synthesis applications. It is also utilized in the production of sensors and as a reagent in semiconductor manufacturing.

What precautions should be taken when handling 1,2,3,4,5,6-Cyclohexanehexone (CAS: 527-31-1)?

When handling 1,2,3,4,5,6-Cyclohexanehexone (CAS: 527-31-1), it is essential to wear appropriate personal protective equipment (PPE), including safety goggles, gloves, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be cleaned up carefully using appropriate absorptive materials and the incident recorded in the laboratory log. Always refer to the safety data sheet (SDS) for detailed safety information and emergency procedures.