2-(4-BENZYLOXYPHENYL)ETHANOL

The Benzeneethanol, 4-(phenylmethoxy)-, with the CAS registry number of 61439-59-6, is also known as 4-Benzyloxyphenylethan-2-ol and 4-Benzyloxyphenylethyl alcohol. It belongs to the product categories of Benzhydrols, Benzyl & Special Alcohols; Aromatics. Its EINECS registry number is 262-795-2. This chemical's molecular formula is C₁₅H₁₆O₂ and molecular weight is 228.29. What's more, its IUPAC name is 2-(4-Phenylmethoxyphenyl)ethanol. In addition, it must be stored in airtight containers and placed in a dry, cool place. Meanwhile, it should avoid contact with oxidant. During using it, you should avoid contacting with skin and eyes.

Physical properties about Benzeneethanol, 4-(phenylmethoxy)- are: (1)ACD/LogP: 2.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.93; (4)ACD/LogD (pH 7.4): 2.93; (5)ACD/BCF (pH 5.5): 99.22; (6)ACD/BCF (pH 7.4): 99.22; (7)ACD/KOC (pH 5.5): 934.96; (8)ACD/KOC (pH 7.4): 934.96; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.584; (14)Molar Refractivity: 68.5 cm³; (15)Molar Volume: 204.4 cm³; (16)Polarizability: 27.15×10^-24 cm³; (17)Surface Tension: 44.9 dyne/cm; (18)Density: 1.116 g/cm³; (19)Flash Point: 170.1 °C; (20)Enthalpy of Vaporization: 66.15 kJ/mol; (21)Boiling Point: 379.1 °C at 760 mmHg; (22)Vapour Pressure: 2.02E-06 mmHg at 25 °C; (23)Melting point: 85-87 °C.

Preparation: this chemical is prepared by (4-Benzyloxy-phenyl)-acetic acid. The reaction needs reagent BH₃ and solvent Tetrahydrofuran. The yield is about 92.7 %.

Uses: it is used to produce other chemicals. For example, it is used to produce 2-[4-(Benzyloxy)phenyl]ethyl iodide at ambient temperature. This reaction needs reagents I₂, Ph₂PCl, Imidazole. Meanwhile, it needs solvent Toluene. Other condition of this reaction is reaction time of 15 minutes. The yield is about 89 %.

You can still convert the following datas into molecular structure:
(1) SMILES: O(c1ccc(cc1)CCO)Cc2ccccc2
(2) InChI: InChI=1/C15H16O2/c16-11-10-13-6-8-15(9-7-13)17-12-14-4-2-1-3-5-14/h1-9,16H,10-12H2
(3) InChIKey: JCUJAHLWCDISCC-UHFFFAOYAS