Cyclohexylbenzene Property

Melting point:

5 °C

Boiling point:

239-240 °C(lit.)

Density 

0.95 g/mL at 25 °C(lit.)

vapor pressure 

25Pa at 25℃

refractive index 

n20/D 1.526(lit.)

Flash point:

210 °F

storage temp. 

Sealed in dry,Room Temperature

solubility 

INSOLUBLE

form 

Liquid

color 

Clear colorless

Odor

pleasant odor

Water Solubility 

INSOLUBLE

λmax

260nm(Cyclohexane)(lit.)

BRN 

1906803

Stability:

Stable. Flammable. Incompatible with strong oxidizing agents.

InChIKey

IGARGHRYKHJQSM-UHFFFAOYSA-N

LogP

5.6 at 20℃

CAS DataBase Reference

827-52-1(CAS DataBase Reference)

NIST Chemistry Reference

Benzene, cyclohexyl-(827-52-1)

EPA Substance Registry System

Cyclohexylbenzene (827-52-1)

Safety

Hazard Codes 

Xn,N

Risk Statements 

22-36/38-50/53

Safety Statements 

26-60-61

RIDADR 

UN 3082 9/PG 3

WGK Germany 

2

RTECS 

CZ1330000

TSCA 

Yes

HazardClass 

9

PackingGroup 

III

HS Code 

29029090

Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

H410Very toxic to aquatic life with long lasting effects

Precautionary statements

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P273Avoid release to the environment.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P332+P313IF SKIN irritation occurs: Get medical advice/attention.

Cyclohexylbenzene Chemical Properties,Usage,Production

Chemical Properties

Colorless oily liquid. Soluble in alcohol, acetone, benzene, carbon tetrachloride, castor oil, hexane and xylene, insoluble in water and glycerol.

Uses

Cyclohexylbenzene is used as a high boiling point solvent. It finds application as a penetrant used in plastics, painting, and adhesives. It acts as an additive for lithium-ion battery electrolyte to enhance the battery safety. It is used to prepare intermediates such as phenol and cyclohexanone. Further, it is used in the preparation of liquid crystal display (LCD) material intermediate 4-ethyl cyclohexyl benzoic acid.

Preparation

Cyclohexylbenzene is produced by the acid-catalyzed alkylation of benzene with cyclohexene. Under vigorous stirring, the freshly distilled cyclohexene was added dropwise to the mixture of benzene and sulfuric acid, the temperature was kept at 15±5°C, and the addition was completed for about 0.5-1 h. After the addition, the reaction was continued for 1 h. The sulfuric acid layer is separated, the oil layer is washed with water, lye and water in turn, fractionated, firstly, the unreacted benzene is distilled off, then the 230-260 ℃ fraction is collected, and the positive boiling point fraction is collected by fractionation again to obtain the product cyclohexylbenzene.

Synthesis Reference(s)

Tetrahedron, 24, p. 4525, 1968 DOI: 10.1016/S0040-4020(01)96290-8

General Description

These additives have low water content (less than 100 ppm), please handle under inert and moisture free enviornment (glove box). Keep containers tightly closed. Keep away from heat and ignition sources. Store in a cool and dry place. Avoid storing together with oxidizers.

Purification Methods

Purify it by fractional distillation, and by fractional freezing. [Beilstein 5 IV 1424.]