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Benzeneethanol,4-(phenylmethoxy)-

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Name

Benzeneethanol,4-(phenylmethoxy)-

EINECS 262-795-2
CAS No. 61439-59-6 Density 1.116 g/cm3
PSA 29.46000 LogP 2.80040
Solubility N/A Melting Point 85-87 °C
Formula C15H16O2 Boiling Point 379.1 °C at 760 mmHg
Molecular Weight 228.291 Flash Point 170.1 °C
Transport Information N/A Appearance white solid
Safety 24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 61439-59-6 (2-(4-BENZYLOXYPHENYL)ETHANOL) Hazard Symbols N/A
Synonyms

2-(4-Benzyloxyphenyl)ethanol;2-(p-Benzyloxyphenyl)ethanol;4-Benzyloxyphenethyl alcohol;p-(Benzyloxy)phenethyl alcohol;β-(p-Benzyloxyphenyl)ethyl alcohol;

Article Data 57

Benzeneethanol,4-(phenylmethoxy)- Specification

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

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