1-Cyclohexen-1-ylbenzene

Basic Information

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CAS Number

771-98-2

Molecular Formula

C12H14

Molecular Weight

158.24 g/mol

Chemical Classification

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

−11 °C

Boiling Point

252°C

Density

0.994 g/mL at 25 °C

Water Solubility

Insoluble in water.

Refractive Index

n20/D 1.57(lit.)

SMILES

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C1CCC(=CC1)C2=CC=CC=C2

InChI

InChI=1S/C12H14/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1,3-4,7-9H,2,5-6,10H2

InChIKey

WCMSFBRREKZZFL-UHFFFAOYSA-N

LogP

3.644000000000002

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

161

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Sensitiveness

sensitive to air

Synonyms & References

English

Benzene, 1-cyclohexen-1-yl-
P1302
2-Phenylcyclohexene
A839000
DTXSID10870771
F13284
NSC403862
1-Phenylcyclohexene
BRN 1905772
Benzene,cyclohexen-1-yl-
NSC-403862
cyclohex-1-enylbenzene
NSC 44834
NS00041773
PM437BQ1OF
cyclohex-1-en-1-ylbenzene
Phenyl cyclohexene
DS-12607
EINECS 212-242-6
1-Cyclohexen-1-ylbenzene
AKOS005217002
AM85908
CYCLOHEXENE, 1-PHENYL-
UNII-PM437BQ1OF
NSC-44834
1-Cyclohexen-1-ylbenzene #
1-Phenyl-1-cyclohexene, 95%
Q27286630
Phenylcyclohexene
Phenyl-1-cyclohexene
MFCD00001542

MDL Number

MFCD00001542

Customs Code

2902909090

FAQ

What are the physical and chemical properties of 1-Cyclohexen-1-ylbenzene (CAS: 771-98-2)?

1-Cyclohexen-1-ylbenzene (CAS: 771-98-2) is a colorless to light yellow liquid with a molecular weight of approximately 142.23 g/mol. It has a mild aromatic odor and is moderately soluble in common organic solvents like ethanol and acetone. Chemically, it is relatively stable under normal conditions but can react with strong oxidizing agents.

How is 1-Cyclohexen-1-ylbenzene (CAS: 771-98-2) typically synthesized?

1-Cyclohexen-1-ylbenzene is typically synthesized through the coupling of benzaldehyde and cyclohexene using a Lewis acid catalyst such as aluminum chloride. The reaction is carried out in an organic solvent like dichloromethane under reflux conditions. The yield is generally high, and the product is purified by distillation.

What industries use 1-Cyclohexen-1-ylbenzene (CAS: 771-98-2)?

1-Cyclohexen-1-ylbenzene (CAS: 771-98-2) is used in various industries, including the pharmaceutical sector for the synthesis of certain drugs, in the production of polymers, and in the development of sensor materials. It is also utilized in the semiconductor industry for specific applications.

What precautions should be taken when handling 1-Cyclohexen-1-ylbenzene (CAS: 771-98-2)?

When handling 1-Cyclohexen-1-ylbenzene (CAS: 771-98-2), it is important to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Store it in a well-ventilated area away from heat sources and oxidizing agents. In case of a spill, use inert materials to absorb the liquid, and dispose of according to local regulations. Refer to the Safety Data Sheet (SDS) for detailed handling instructions.