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| CAS No.: | 1131-60-8 |
|---|---|
| Name: | 4-Cyclohexylphenol |
| Article Data: | 102 |
| Molecular Structure: | |
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| Formula: | C12H16O |
| Molecular Weight: | 176.258 |
| Synonyms: | Phenol,p-cyclohexyl- (8CI);NSC 5245;p-Cyclohexylphenol;p-Hydroxyphenylcyclohexane; |
| EINECS: | 214-465-4 |
| Density: | 1.042 g/cm3 |
| Melting Point: | 130-135 °C |
| Boiling Point: | 301.6 °C at 760 mmHg |
| Flash Point: | 153 °C |
| Solubility: | 66.66mg/L(25 oC) |
| Appearance: | light yellow powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 20.23000 |
| LogP: | 3.43990 |
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Specification
The 4-Cyclohexylphenol is an organic compound with the formula C12H16O. The IUPAC name of this chemical is 4-cyclohexylphenol. With the CAS registry number 1131-60-8, it is also named as Phenol, 4-cyclohexyl-. The product's category is Aromatic Phenols. Besides, it should be stored in a closed cool and dry place.
Physical properties about 4-Cyclohexylphenol are: (1)ACD/LogP: 4.00; (2)ACD/LogD (pH 5.5): 4; (3)ACD/LogD (pH 7.4): 4; (4)ACD/BCF (pH 5.5): 647.48; (5)ACD/BCF (pH 7.4): 646.35; (6)ACD/KOC (pH 5.5): 3579.92; (7)ACD/KOC (pH 7.4): 3573.69; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 9.23 Å2; (12)Index of Refraction: 1.551; (13)Molar Refractivity: 53.99 cm3; (14)Molar Volume: 169 cm3; (15)Polarizability: 21.4×10-24cm3; (16)Surface Tension: 41.3 dyne/cm; (17)Density: 1.042 g/cm3; (18)Flash Point: 153 °C; (19)Enthalpy of Vaporization: 56.34 kJ/mol; (20)Boiling Point: 301.6 °C at 760 mmHg; (21)Vapour Pressure: 0.000583 mmHg at 25°C.
Preparation: this chemical can be prepared by cyclohexyl-phenyl ether. This reaction will need reagent Al3+-mont and solvent chlorobenzene. The reaction time is 60 min with reaction temperature of 100 °C. The yield is about 55%.
Uses of 4-Cyclohexylphenol: it can be used to produce (hydroxy-2 cyclohexyl-5 phenyl)-1 ethanone at temperature of 75 °C. It will need reagent BF3 with reaction time of 24 hours. The yield is about 91%.
When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: Oc1ccc(cc1)C2CCCCC2
(2)InChI: InChI=1/C12H16O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h6-10,13H,1-5H2
(3)InChIKey: OAHMVZYHIJQTQC-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C12H16O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h6-10,13H,1-5H2
(5)Std. InChIKey: OAHMVZYHIJQTQC-UHFFFAOYSA-N