ChemicalBook--->CAS DataBase List--->827-52-1

827-52-1

827-52-1 Structure

827-52-1 Structure
IdentificationMore
[Name]

Cyclohexylbenzene
[CAS]

827-52-1
[Synonyms]

CYCLOHEXYLBENZENE
PHENYLCYCLOHEXANE
1,1'-Biphenyl, 1,2,3,4,5,6-hexahydro-
4-cyclohexylbenzene
Cyclohexane, phenyl-
cyclohexyl-benzen
Hexahydrobiphenyl
santosol360
CYCLOHEXYLBENZENE, 97+%
Benzene, cyclohexyl-
CYCLOHEXYBENZENE (CHB)
Cyclohexylbenzol
Cyclohexylbenzoyl
2-Phenylcyclohexane
3-Phenylcyclohexane
[EINECS(EC#)]

212-572-0
[Molecular Formula]

C12H16
[MDL Number]

MFCD00001451
[Molecular Weight]

160.26
[MOL File]

827-52-1.mol
Chemical PropertiesBack Directory
[Appearance]

colourless liquid
[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.)
[Fp ]

210 °F
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

INSOLUBLE
[form ]

Liquid
[color ]

Clear colorless
[Odor]

pleasant odor
[Stability:]

Stable. Flammable. Incompatible with strong oxidizing agents.
[Water Solubility ]

INSOLUBLE
[Thermal Conductivity]

0.12 W/(m·K) at 25 ℃
[λmax]

260nm(Cyclohexane)(lit.)
[BRN ]

1906803
[InChI]

1S/C12H16/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2
[InChIKey]

IGARGHRYKHJQSM-UHFFFAOYSA-N
[SMILES]

C1CCC(CC1)c2ccccc2
[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]

827-52-1(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)Environment (GHS09)
GHS07,GHS09
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H410
[Precautionary statements ]

P264-P273-P280-P302+P352-P305+P351+P338-P332+P313
[Hazard Codes ]

Xn,N
[Risk Statements ]

R22:Harmful if swallowed.
R36/38:Irritating to eyes and skin .
R50/53:Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S60:This material and/or its container must be disposed of as hazardous waste .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
[RIDADR ]

UN 3082 9/PG 3
[WGK Germany ]

2
[RTECS ]

CZ1330000
[TSCA ]

Yes
[REACH Registrations]

Active
[HazardClass ]

9
[PackingGroup ]

III
[HS Code ]

29029090
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Aquatic Acute 1
Aquatic Chronic 1
Eye Irrit. 2
Skin Irrit. 2
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Cyclohexene-->Benzene
[Preparation Products]

disodium 3,3'-[cyclohexylidenebis[(2-methoxy-4,1-phenylene)azo]]bis(4,6-dihydroxynaphthalene-2-sulphonate)-->Dibenzofuran, 1,2,3,4-tetrahydro--->1,4-Dicyclohexylbenzene-->Siponimod-->1-Phenylcyclohexanol-->Bicyclohexyl
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Cyclohexylbenzene(827-52-1).msds
Hazard InformationBack Directory
[Chemical Properties]

colourless liquid
[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.]
[Toxics Screening Level]

The initial threshold screening level (ITSL) for cyclohexylbenzene is 0.1 μg/m3 based on an annual averaging time.
Spectrum DetailBack Directory
[Spectrum Detail]

Cyclohexylbenzene(827-52-1)MS
Cyclohexylbenzene(827-52-1)1HNMR
Cyclohexylbenzene(827-52-1)13CNMR
Cyclohexylbenzene(827-52-1)IR1
Cyclohexylbenzene(827-52-1)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Cyclohexylbenzene(827-52-1)
[Alfa Aesar]

Cyclohexylbenzene, 98%(827-52-1)
[Sigma Aldrich]

827-52-1(sigmaaldrich)
[TCI AMERICA]

Phenylcyclohexane,>97.0%(GC)(827-52-1)
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