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| CAS No.: | 70568-60-4 |
|---|---|
| Name: | 4-BUTYLCYCLOHEXANOL |
| Molecular Structure: | |
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| Formula: | C10H20O |
| Molecular Weight: | 156.268 |
| Synonyms: | 4-Butylcyclohexanol; |
| Density: | 0.897 g/cm3 |
| Melting Point: | 83 °C |
| Boiling Point: | 217.9 °C at 760 mmHg |
| Flash Point: | 87.9 °C |
| PSA: | 20.23000 |
| LogP: | 2.72770 |
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Specification
The Cyclohexanol, 4-butyl-, with CAS registry number 70568-60-4, has the systematic name of 4-butylcyclohexanol. Besides this, it is also called 4-butylcyclohexan-1-ol. And the chemical formula of this chemical is C10H20O.
Physical properties of Cyclohexanol, 4-butyl-: (1)ACD/LogP: 3.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.43; (4)ACD/LogD (pH 7.4): 3.43; (5)ACD/BCF (pH 5.5): 236.82; (6)ACD/BCF (pH 7.4): 236.82; (7)ACD/KOC (pH 5.5): 1742.68; (8)ACD/KOC (pH 7.4): 1742.68; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.462; (14)Molar Refractivity: 47.85 cm3; (15)Molar Volume: 174 cm3; (16)Polarizability: 18.97×10-24cm3; (17)Surface Tension: 31 dyne/cm; (18)Density: 0.897 g/cm3; (19)Flash Point: 87.9 °C; (20)Enthalpy of Vaporization: 52.83 kJ/mol; (21)Boiling Point: 217.9 °C at 760 mmHg; (22)Vapour Pressure: 0.0276 mmHg at 25°C.
Preparation: this chemical can be prepared by 4-Butyl-phenol. This reaction will need reagent H2 and catalyst Raney nickel. The reaction temperature is 150 ℃. And the reaction pressure is 112508.9.
Uses of Cyclohexanol, 4-butyl-: it can be used to produce 4-butyl-cyclohexanone. This reaction will need reagents chromic acid, glacial acetic acid.
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You can still convert the following datas into molecular structure:
(1)SMILES: OC1CCC(CCCC)CC1
(2)InChI: InChI=1/C10H20O/c1-2-3-4-9-5-7-10(11)8-6-9/h9-11H,2-8H2,1H3
(3)InChIKey: NUANGSLQWFBVEH-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C10H20O/c1-2-3-4-9-5-7-10(11)8-6-9/h9-11H,2-8H2,1H3
(5)Std. InChIKey: NUANGSLQWFBVEH-UHFFFAOYSA-N