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| CAS No.: | 2362-61-0 |
|---|---|
| Name: | TRANS-2-PHENYL-1-CYCLOHEXANOL |
| Article Data: | 61 |
| Molecular Structure: | |
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| Formula: | C12H16O |
| Molecular Weight: | 176.258 |
| Synonyms: | Phenylcyclohexanol; |
| EINECS: | 219-111-2 |
| Density: | 1.051 g/cm3 |
| Melting Point: | 53-55 °C(lit.) |
| Boiling Point: | 278.5 °C at 760 mmHg |
| Flash Point: | 113.3 °C |
| Safety: | 22-24/25 |
| Transport Information: | UN 2811 |
| PSA: | 20.23000 |
| LogP: | 2.70510 |
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Specification
The Cyclohexanol,2-phenyl-, (1R,2S)-rel-, with the CAS registry number of 2362-61-0, is also known as Phenylcyclohexanol. It belongs to the product categories of Alcohols; C9 to C30; Oxygen Compounds. This chemical's molecular formula is C12H16O and molecular weight is 176.25. What's more, its systematic name is (1R,2S)-2-Phenylcyclohexanol.
Physical properties about the are: (1)ACD/LogP: 2.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.88; (4)ACD/LogD (pH 7.4): 2.88; (5)ACD/BCF (pH 5.5): 91.42; (6)ACD/BCF (pH 7.4): 91.42; (7)ACD/KOC (pH 5.5): 881.71; (8)ACD/KOC (pH 7.4): 881.71; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.553; (14)Molar Refractivity: 53.7 cm3; (15)Molar Volume: 167.6 cm3; (16)Surface Tension: 39.5 dyne/cm; (17)Density: 1.051 g/cm3; (18)Flash Point: 113.3 °C; (19)Enthalpy of Vaporization: 54.62 kJ/mol; (20)Boiling Point: 278.5 °C at 760 mmHg; (21)Vapour Pressure: 0.00203 mmHg at 25 °C.
Uses: it is used to produce other chemicals. For example, it is used to produce1-Acetoxy-2-phenylcyclohexane. This reaction needs reagent Cu(OTf)2. Meanwhile, it needs solvent CH2Cl2. The reaction time is 1 h with reaction temperature of 20 °C. The yield is about 99 %.
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When you are using this chemical, please be cautious about it as the following:
As a chemical, the dust of this chemical can not be breathed. And you should avoid contacting with skin and eyes.
You can still convert the following datas into molecular structure:
(1) SMILES: O[C@H]2[C@H](c1ccccc1)CCCC2
(2) InChI: InChI=1/C12H16O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-3,6-7,11-13H,4-5,8-9H2/t11-,12+/m0/s1
(3) InChIKey: AAIBYZBZXNWTPP-NWDGAFQWBC