Introduction：Basic information about Cyclohexylbenzene CAS 827-52-1, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Cyclohexylbenzene Basic information
| Product Name: | Cyclohexylbenzene |
| Synonyms: | PHENYLCYCLOHEXANE;3-Phenylcyclohexane;Cyclohexylbenzene,98%;Cyclohexylbenzene, 98% 100ML;Phenylcyclohexane, 98%+;Phenylcyclohexane >=97%;Phenylcyclohexane >=99%, acid < 200 ppm, H2O < 100 ppm;1,1'-Biphenyl, 1,2,3,4,5,6-hexahydro- |
| CAS: | 827-52-1 |
| MF: | C12H16 |
| MW: | 160.26 |
| EINECS: | 212-572-0 |
| Product Categories: | Biphenyl & Diphenyl ether;827-52-1;YP00036 |
| Mol File: | 827-52-1.mol |
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Cyclohexylbenzene Chemical Properties
| 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 |
| Water Solubility | INSOLUBLE |
| λmax | 260nm(Cyclohexane)(lit.) |
| BRN | 1906803 |
| Stability: | Stable. Flammable. Incompatible with strong oxidizing agents. |
| 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 | Cyclohexylbenzene (827-52-1) |
Safety Information
| 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 | TSCA listed |
| 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 |
Cyclohexylbenzene Usage And Synthesis
| 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.] |
| Toxics Screening Level | The initial threshold screening level (ITSL) for cyclohexylbenzene is 0.1 μg/m3 based on an annual averaging time. |
Cyclohexylbenzene Preparation Products And Raw materials
| 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 |
