1,1'-Bi(cyclohexan)-1'-en-2-one

Basic Information

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CAS Number

1502-22-3

Molecular Formula

C12H18O

Molecular Weight

178.27 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

-77.9°C

Boiling Point

275°C

Water Solubility

Soluble in water. Insoluble in alcohol.

Flash Point

265°C

Refractive Index

1.5060

SMILES

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C1CCC(=CC1)C2CCCCC2=O

InChI

InChI=1S/C12H18O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h6,11H,1-5,7-9H2

InChIKey

GVNVAWHJIKLAGL-UHFFFAOYSA-N

LogP

3.246100000000002

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

227

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

2-(1-Cyclohexenyl)cyclohexanone
1,1'-Bi(cyclohexan)-1-en-2-one
2-(1-cyclohexen-1-yl)-cyclohexanon
CHCH
Nsc518776
TIMTEC-BB SBB007681
BICYCLOHEXYL-1'-EN-2-ONE
2-Cyclohexenylcyclohexanone
o-cyclohexenylcyclohexanone
cyclohexanone,2-(cyclohexenyl)-
2-(Cyclohex-1-enyl)cyclohexanone
2-(1-Cyclohexen-1-yl)cyclohexanone
Cyclohexanone, 2-(1-cyclohexen-1-yl)-
2-(1-Cyclohexen-1-yl)cyclohexan-1-one
[1,1'-Bi(cyclohexan)]-1'-en-2-one
2-(cyclohex-1-en-1-yl)cyclohexan-1-one
Cyclohexanone, 2-(cyclohexenyl)-
GVNVAWHJIKLAGL-UHFFFAOYSA-N
2-cyclohex-1-enylcyclohexan-1-one
l6vtj b- al6utj
2-(1-cyclohexenyl)cyclohexanone
2-(1-CYCLOHEXENYL)CYCLOHEXANONE

MDL Number

MFCD00013796

Customs Code

2914299000

FAQ

What are the physical and chemical properties of 1,1'-Bi(cyclohexan)-1'-en-2-one (CAS: 1502-22-3)?

1,1'-Bi(cyclohexan)-1'-en-2-one (CAS: 1502-22-3) is a colorless crystalline solid with a molecular weight of approximately 236.41 g/mol. It has a low solubility in water but is soluble in organic solvents like ethanol and acetone. It is a moderately reactive compound, often used in organic synthesis. The compound exhibits a characteristic ketone functionality and can undergo typical reactions such as addition and condensation reactions.

How is 1,1'-Bi(cyclohexan)-1'-en-2-one (CAS: 1502-22-3) typically synthesized?

1,1'-Bi(cyclohexan)-1'-en-2-one (CAS: 1502-22-3) can be synthesized via a cyclocondensation reaction of 1,4-cyclohexadiene with itself in the presence of a strong acid catalyst such as sulfuric acid. The reaction typically yields a high yield of the target compound with good selectivity. The process is carried out at elevated temperatures to promote the cyclocondensation reaction.

What industries use 1,1'-Bi(cyclohexan)-1'-en-2-one (CAS: 1502-22-3)?

1,1'-Bi(cyclohexan)-1'-en-2-one (CAS: 1502-22-3) is utilized in various industries including pharmaceuticals for the synthesis of certain drugs, polymers for advanced materials, and in the production of sensors and semiconductors due to its specific chemical properties and functionality.

What precautions should be taken when handling 1,1'-Bi(cyclohexan)-1'-en-2-one (CAS: 1502-22-3)?

When handling 1,1'-Bi(cyclohexan)-1'-en-2-one (CAS: 1502-22-3), it is important to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be stored in a cool, dry place away from direct sunlight and sources of ignition. In case of a spill, it should be handled in a fume hood, and the Material Safety Data Sheet (MSDS) should be consulted for detailed instructions. Always ensure good ventilation and follow all safety guidelines provided by the manufacturer.