CAS No.22272-48-6,3-BENZYLPHENOL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	22272-48-6
Name:	3-BENZYLPHENOL
Article Data:	16

Formula:	C₁₃H₁₂O
Molecular Weight:	184.238
Synonyms:	3-Benzylphenol;
Density:	1.101 g/cm³
Boiling Point:	323.5 °C at 760 mmHg
Flash Point:	155.1 °C
PSA:	20.23000
LogP:	2.98300

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Specification

The Phenol,3-(phenylmethyl)- has CAS registry number 22272-48-6. This chemical's molecular formula is C₁₃H₁₂O and molecular weight is 184.23. What's more, its IUPAC name is 3-benzylphenol.

Physical properties of Phenol,3-(phenylmethyl)- are: (1)ACD/LogP: 3.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.47; (4)ACD/LogD (pH 7.4): 3.47; (5)ACD/BCF (pH 5.5): 255.7; (6)ACD/BCF (pH 7.4): 255.11; (7)ACD/KOC (pH 5.5): 1840.99; (8)ACD/KOC (pH 7.4): 1836.76; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.602; (14)Molar Refractivity: 57.44 cm³; (15)Molar Volume: 167.2 cm³; (16)Polarizability: 22.77×10^-24cm³; (17)Surface Tension: 45 dyne/cm; (18)Density: 1.101 g/cm³; (19)Flash Point: 155.1 °C; (20)Enthalpy of Vaporization: 58.8 kJ/mol; (21)Boiling Point: 323.5 °C at 760 mmHg; (22)Vapour Pressure: 0.000138 mmHg at 25°C.

Uses of Phenol,3-(phenylmethyl)-: it can be used to produce 1-benzyl-3-(3-chloropropoxy)benzene under the heating condition. It will need reagent K₂CO₃ and solvent acetone with the reaction time of 24 hours. The yield is about 70%.

Phenol,3-(phenylmethyl)- can be used to produce 1-benzyl-3-(3-chloropropoxy)benzene under the heating condition

You can still convert the following datas into molecular structure:
(1)SMILES: Oc1cc(ccc1)Cc2ccccc2
(2)Std. InChI: InChI=1S/C13H12O/c14-13-8-4-7-12(10-13)9-11-5-2-1-3-6-11/h1-8,10,14H,9H2
(3)Std. InChIKey: JKFDELMIGLPLAX-UHFFFAOYSA-N