CAS No.835-78-9,2-PHENETHYLBENZYL ALCOHOL Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	835-78-9
Name:	2-PHENETHYLBENZYL ALCOHOL
Article Data:	8

Formula:	C₁₅H₁₆O
Molecular Weight:	212.291
Synonyms:	Benzylalcohol, o-phenethyl- (6CI,7CI,8CI);2-(2-Phenylethyl)benzyl alcohol;2-(Phenethyl)benzyl alcohol;NSC 97450;[2-(2-Phenylethyl)phenyl]methanol;benzenemethanol, 2-(2-phenylethyl)-;
EINECS:	212-644-1
Density:	1.078 g/cm³
Melting Point:	56-59 °C(lit.)
Boiling Point:	330.7 °C at 760 mmHg
Flash Point:	136.3 °C
PSA:	20.23000
LogP:	2.96410

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Specification

The Benzenemethanol,2-(2-phenylethyl)-, with the CAS registry number 835-78-9 and EINECS registry number 212-644-1, has the systematic name of [2-(2-phenylethyl)phenyl]methanol. It belongs to the following product categories: Alcohols; C9 to C30; Oxygen Compounds. And the molecular formula of the chemical is C₁₅H₁₆O.

The characteristics of Benzenemethanol,2-(2-phenylethyl)- are as followings: (1)ACD/LogP: 3.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.52; (4)ACD/LogD (pH 7.4): 3.52; (5)ACD/BCF (pH 5.5): 276.47; (6)ACD/BCF (pH 7.4): 276.47; (7)ACD/KOC (pH 5.5): 1946.86; (8)ACD/KOC (pH 7.4): 1946.86; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.593; (14)Molar Refractivity: 66.74 cm³; (15)Molar Volume: 196.7 cm³; (16)Polarizability: 26.45×10^-24cm³; (17)Surface Tension: 44.9 dyne/cm; (18)Density: 1.078 g/cm³; (19)Flash Point: 136.3 °C; (20)Enthalpy of Vaporization: 60.52 kJ/mol; (21)Boiling Point: 330.7 °C at 760 mmHg; (22)Vapour Pressure: 6.53E-05 mmHg at 25°C.

Preparation of Benzenemethanol,2-(2-phenylethyl)-: This chemical can be prepared by bromomethyl-benzene and o-bromomethylbenzyl alcohol. The reaction will need reagent dimanganese decacarbonyl, and the menstruum CH₂Cl₂. And the yield is about 77%.

Uses of Benzenemethanol,2-(2-phenylethyl)-: It canbe used to produce bibenzyl-2-carbaldehyde. This reaction will need reagent CrO₃, pyridine and AcOH. And the yield is about 97%.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: OCc1ccccc1CCc2ccccc2
(2)InChI: InChI=1/C15H16O/c16-12-15-9-5-4-8-14(15)11-10-13-6-2-1-3-7-13/h1-9,16H,10-12H2
(3)InChIKey: CPZRYQJPVUJHOS-UHFFFAOYAR