CAS No.7382-59-4,Guaiacylglycerol-beta-guaiacyl ether Suppliers

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Basic Information

Molecular Structure:
CAS No.:	7382-59-4
Name:	Guaiacylglycerol-beta-guaiacyl ether
Article Data:	14

Formula:	C₁₇H₂₀O₆
Molecular Weight:	320.342
Synonyms:	1,3-Propanediol, 1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)-;GGBGE;Guaiacylglycerol-beta-O-4-guaiacyl ether;4-[1-Hydroxy-2-(hydroxymethoxy)-2-(2-methoxyphenyl)ethyl]-2-methoxy-phenol;
Density:	1.282 g/cm³
Melting Point:	100 °C
Boiling Point:	553.5 °C at 760 mmHg
Flash Point:	288.6 °C
Hazard Symbols:	N
Risk Codes:	50
Safety:	61
PSA:	88.38000
LogP:	1.88270

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Specification

The Guaiacylglycerol-beta-guaiacyl ether, with the CAS registry number 7382-59-4, is also known as Guaiacylglycerol-β-guaiacyl ether. This chemical's molecular formula is C₁₇H₂₀O₆ and molecular weight is 320.34. What's more, its IUPAC name is 4-[1-Hydroxy-2-(hydroxymethoxy)-2-(2-methoxyphenyl)ethyl]-2-methoxyphenol. In addition, it must be stored in airtight containers and placed in a dry, cool place.

Physical properties about Guaiacylglycerol-beta-guaiacyl ether are: (1)ACD/LogP: 1.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.66; (4)ACD/LogD (pH 7.4): 1.66; (5)ACD/BCF (pH 5.5): 10.68; (6)ACD/BCF (pH 7.4): 10.65; (7)ACD/KOC (pH 5.5): 189.67; (8)ACD/KOC (pH 7.4): 189.13; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 55.38 Å²; (13)Index of Refraction: 1.598; (14)Molar Refractivity: 84.98 cm³; (15)Molar Volume: 248.7 cm³; (16)Polarizability: 33.68×10^-24 cm³; (17)Surface Tension: 54 dyne/cm; (18)Density: 1.287 g/cm³; (19)Flash Point: 232.1 °C; (20)Enthalpy of Vaporization: 75.95 kJ/mol; (21)Boiling Point: 460.2 °C at 760 mmHg; (22)Vapour Pressure: 2.89E-09 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Oc1ccc(cc1OC)C(O)C(OCO)c2ccccc2OC
(2) InChI: InChI=1/C17H20O6/c1-21-14-6-4-3-5-12(14)17(23-10-18)16(20)11-7-8-13(19)15(9-11)22-2/h3-9,16-20H,10H2,1-2H3
(3) InChIKey: COXIJIHARCXZBW-UHFFFAOYAK