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CAS No.: | 61439-59-6 |
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Name: | 2-(4-BENZYLOXYPHENYL)ETHANOL |
Article Data: | 57 |
Molecular Structure: | |
Formula: | C15H16O2 |
Molecular Weight: | 228.291 |
Synonyms: | 2-(4-Benzyloxyphenyl)ethanol;2-(p-Benzyloxyphenyl)ethanol;4-Benzyloxyphenethyl alcohol;p-(Benzyloxy)phenethyl alcohol;β-(p-Benzyloxyphenyl)ethyl alcohol; |
EINECS: | 262-795-2 |
Density: | 1.116 g/cm3 |
Melting Point: | 85-87 °C |
Boiling Point: | 379.1 °C at 760 mmHg |
Flash Point: | 170.1 °C |
Appearance: | white solid |
Safety: | 24/25 |
PSA: | 29.46000 |
LogP: | 2.80040 |
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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