HEXAETHYLENE GLYCOL MONOMETHYL ETHER

The Hexaethyleneglycol monomethyl ether, with CAS registry number 23601-40-3, belongs to the following product categories: (1)Ethylene Glycols & Monofunctional Ethylene Glycols; (2)Monofunctional Ethylene Glycols. It has the systematic name of 2,5,8,11,14,17-hexaoxanonadecan-19-ol. And its IUPAC name is 2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol. What's more, its EINECS is 245-775-8.

Physical properties of Hexaethyleneglycol monomethyl ether: (1)ACD/LogP: -2.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.59; (4)ACD/LogD (pH 7.4): -2.59; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 7; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 18; (12)Polar Surface Area: 64.61 Å²; (13)Index of Refraction: 1.445; (14)Molar Refractivity: 74.28 cm³; (15)Molar Volume: 278.8 cm³; (16)Polarizability: 29.44×10^-24cm³; (17)Surface Tension: 36.2 dyne/cm; (18)Enthalpy of Vaporization: 72.09 kJ/mol; (19)Vapour Pressure: 3.53E-07 mmHg at 25°C.

Preparation: this chemical can be prepared by 3,6,9,12,15-pentaoxa-heptadecane-1,17-diol and iodomethane. This reaction will need reagent NaH and solvent tetrahydrofuran. The reaction time is 5 hour(s). The yield is about 39%.

Uses of Hexaethyleneglycol monomethyl ether: it can be used to produce toluene-4-sulfonic acid 2-[2-(2-{2-[2-(2-methoxy-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethoxy]-ethyl ester. This reaction will need reagent triethylamine and solvent tetrahydrofuran. The reaction time is 24 hour(s).  The yield is about 68%.

You can still convert the following datas into molecular structure:
(1)SMILES: O(CCOC)CCOCCOCCOCCOCCO
(2)InChI: InChI=1/C13H28O7/c1-15-4-5-17-8-9-19-12-13-20-11-10-18-7-6-16-3-2-14/h14H,2-13H2,1H3
(3)InChIKey: FHHGCKHKTAJLOM-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C13H28O7/c1-15-4-5-17-8-9-19-12-13-20-11-10-18-7-6-16-3-2-14/h14H,2-13H2,1H3
(5)Std. InChIKey: FHHGCKHKTAJLOM-UHFFFAOYSA-N