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Benzenemethanol,3,4,5-tris(phenylmethoxy)-

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Name

Benzenemethanol,3,4,5-tris(phenylmethoxy)-

EINECS N/A
CAS No. 79831-88-2 Density 1.193 g/cm3
PSA 47.92000 LogP 5.91590
Solubility N/A Melting Point 107 °C
Formula C28H26O4 Boiling Point 601.8 °C at 760 mmHg
Molecular Weight 426.512 Flash Point 317.8 °C
Transport Information N/A Appearance N/A
Safety 22-24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 79831-88-2 (3,4,5-TRIS(BENZYLOXY)BENZYL ALCOHOL) Hazard Symbols N/A
Synonyms

3,4,5-Tribenzyloxybenzyl alcohol;Benzylalcohol, 3,4,5-tris(benzyloxy)- (7CI);

Article Data 29

Benzenemethanol,3,4,5-tris(phenylmethoxy)- Specification

The Benzenemethanol, 3, 4, 5-tris(phenylmethoxy)-, with the CAS registry number 79831-88-2, is also known as 3, 4, 5-Tris(benzyloxy)benzyl Alcohol. This chemical's molecular formula is C28H26O4 and molecular weight is 426.5. What's more, its systematic name is [3, 4, 5-Tris(benzyloxy)phenyl]methanol. In addition, it must be stored in airtight containers and placed in a dry, cool place. Meanwhile, it should be kept away from oxidant. The dust of this chemical can not be breathed. And you should avoid contacting with skin and eyes.

Physical properties about Benzenemethanol, 3, 4, 5-tris(phenylmethoxy)- are: (1)ACD/LogP: 5.44; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.44; (4)ACD/LogD (pH 7.4): 5.44; (5)ACD/BCF (pH 5.5): 8020.38; (6)ACD/BCF (pH 7.4): 8020.38; (7)ACD/KOC (pH 5.5): 21687.68 ; (8)ACD/KOC (pH 7.4): 21687.68; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 36.92 Å2; (13)Index of Refraction: 1.624; (14)Molar Refractivity: 126.2 cm3; (15)Molar Volume: 357.3 cm3; (16)Polarizability: 50.03×10-24 cm3; (17)Surface Tension: 49.3 dyne/cm; (18)Density: 1.193 g/cm3; (19)Flash Point: 317.8 °C; (20)Enthalpy of Vaporization: 94.16 kJ/mol; (21)Boiling Point: 601.8 °C at 760 mmHg; (22)Vapour Pressure: 2.47E-15 mmHg at 25 °C.

Preparation of Benzenemethanol, 3, 4, 5-tris(phenylmethoxy)-: this chemical is prepared by 3, 4, 5-Tris-benzyloxy-benzoic acid methyl ester. The reaction needs reagent LiAlH4 and solvent Tetrahydrofuran. The reaction time is 1.5 hours with reaction temperature of 0 °C.

Benzenemethanol, 3, 4, 5-tris(phenylmethoxy)- can be obtained by 3, 4, 5-Tris-benzyloxy-benzoic acid methyl ester

You can still convert the following datas into molecular structure:
(1) SMILES: O(c3c(OCc1ccccc1)cc(cc3OCc2ccccc2)CO)Cc4ccccc4
(2) InChI: InChI=1/C28H26O4/c29-18-25-16-26(30-19-22-10-4-1-5-11-22)28(32-21-24-14-8-3-9-15-24)27(17-25)31-20-23-12-6-2-7-13-23/h1-17,29H,18-21H2
(3) InChIKey: FWPHSYJOSSBILN-UHFFFAOYAA

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