Ethanol,2-[2-[2-(phenylmethoxy)ethoxy]ethoxy]- (55489-58-2)

The Triethylene glycol monobenzyl ether, with CAS registry number 55489-58-2, belongs to the following product categories: (1) Ethylene Glycols & Monofunctional Ethylene Glycols; (2)Monofunctional Ethylene Glycols. It has the systematic name of 2-{2-[2-(benzyloxy)ethoxy]ethoxy}ethanol. This chemical should be stored in cool, dry place in tightly closed containers. And you should ensure good ventilation/exhaustion at the workplace.

Physical properties of Triethylene glycol monobenzyl ether: (1)ACD/LogP: 0.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.54; (4)ACD/LogD (pH 7.4): 0.54; (5)ACD/BCF (pH 5.5): 1.51; (6)ACD/BCF (pH 7.4): 1.51; (7)ACD/KOC (pH 5.5): 46.8; (8)ACD/KOC (pH 7.4): 46.8; (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: 1.505; (14)Molar Refractivity: 65.73 cm³; (15)Molar Volume: 221.3 cm³; (16)Polarizability: 26.06×10^-24cm³; (17)Surface Tension: 40.5 dyne/cm; (18)Enthalpy of Vaporization: 63.67 kJ/mol; (19)Vapour Pressure: 9.53E-06 mmHg at 25°C.

Preparation: this chemical can be prepared by 2,2'-ethane-1,2-diyldioxy-bis-ethanol and chloromethyl-benzene. This reaction will need reagent NaOH and solvent H₂O. The yield is about 73%.

Uses of Triethylene glycol monobenzyl ether: it can be used to produce 10-Phenyl-3,6,9-trioxadecanyl bromide. This reaction will need reagent PBr₃ and solvent diethyl ether. The yield is about 36%.

You can still convert the following datas into molecular structure:
(1)SMILES: O(CCOCCOCCO)Cc1ccccc1
(2)InChI: InChI=1/C13H20O4/c14-6-7-15-8-9-16-10-11-17-12-13-4-2-1-3-5-13/h1-5,14H,6-12H2
(3)InChIKey: KVPHZILZNXDCNH-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C13H20O4/c14-6-7-15-8-9-16-10-11-17-12-13-4-2-1-3-5-13/h1-5,14H,6-12H2
(5)Std. InChIKey: KVPHZILZNXDCNH-UHFFFAOYSA-N