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| CAS No.: | 17687-74-0 |
|---|---|
| Name: | TRICYCLOHEXYLMETHANOL |
| Article Data: | 12 |
| Molecular Structure: | |
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| Formula: | C19H34O |
| Molecular Weight: | 278.478 |
| Synonyms: | Methanol,tricyclohexyl- (6CI,7CI,8CI);NSC 146243;Tricyclohexylcarbinol;Tricyclohexylmethanol;a,a-Dicyclohexylcyclohexanemethanol; |
| EINECS: | 241-674-8 |
| Density: | 0.999 g/cm3 |
| Melting Point: | 94-96 °C(lit.) |
| Boiling Point: | 374 °C at 760 mmHg |
| Flash Point: | 176.4 °C |
| Safety: | 24/25 |
| PSA: | 20.23000 |
| LogP: | 5.45840 |
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Specification
The Cyclohexanemethanol, a,a-dicyclohexyl-, with the CAS registry number 17687-74-0, is also known as Methanol,tricyclohexyl- (6CI,7CI,8CI) and a,a-Dicyclohexylcyclohexanemethanol. It belongs to the product categories of Alcohols; C9 to C30; Oxygen Compounds. Its EINECS registry number is 241-674-8. This chemical's molecular formula is C19H34O and molecular weight is 278.47. What's more, both its IUPAC name and systematic name are the same which is called Tricyclohexylmethanol. When you are dealing with this chemical, you should be very careful. You should avoid contact with skin and eyes.
Physical properties about Cyclohexanemethanol, a,a-dicyclohexyl- are: (1) ACD/LogP: 6.69; (2) # of Rule of 5 Violations: 1; (3) ACD/LogD (pH 5.5): 6.69; (4) ACD/LogD (pH 7.4): 6.69; (5) ACD/BCF (pH 5.5): 71286.34; (6) ACD/BCF (pH 7.4): 71286.34; (7) ACD/KOC (pH 5.5): 103600.6; (8) ACD/KOC (pH 7.4): 103600.6; (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: 1.52; (14) Molar Refractivity: 84.83 cm3; (15) Molar Volume: 278.7 cm3; (16) Polarizability: 33.63×10-24 cm3; (17) Surface Tension: 42 dyne/cm; (18) Density: 0.999 g/cm3; (19) Flash Point: 176.4 °C; (20) Enthalpy of Vaporization: 71.89 kJ/mol; (21) Boiling Point: 374 °C at 760 mmHg; (22) Vapour Pressure: 4.02E-07 mmHg at 25 °C.
Use of Cyclohexanemethanol, a,a-dicyclohexyl-: it is used to produce other chemicals. For example, it is used to produce Tricyclohexylmethyl chloride. The reaction occurs with reagents PCl5, K2CO3 and solvent CHCl3 at temperature of 0 °C. The reaction time is 5 hours. The yield is 55 %. And the reaction equation is as followed:
You can still convert the following datas into molecular structure:
(1) SMILES: OC(C1CCCCC1)(C2CCCCC2)C3CCCCC3
(2) InChI: InChI=1/C19H34O/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h16-18,20H,1-15H2
(3) InChIKey: MRGVKQSSSOCONZ-UHFFFAOYAH