CAS 112-35-6 Methyltrioxitol - Materials / Alfa Chemistry

NAVIGATION

Methyltrioxitol

PRICE INQUIRY

Catalog Number

ACM112356-2

CAS Number

112-35-6

Product Name

Methyltrioxitol

Structure

Category

Polymers

Description

Triethylene glycol methyl ether is a colorless odorless liquid. (USCG, 1999);Liquid;COLOURLESS-TO-YELLOW LIQUID.

IUPAC Name

2-[2-(2-methoxyethoxy)ethoxy]ethanol

Molecular Weight

164.2g/mol

Molecular Formula

C7H16O4;CH3(OCH2CH)3OH;C7H16O4

Canonical SMILES

COCCOCCOCCO

InChI

InChI=1S/C7H16O4/c1-9-4-5-11-7-6-10-3-2-8/h8H,2-7H2,1H3

InChI Key

JLGLQAWTXXGVEM-UHFFFAOYSA-N

Boiling Point

249.0 °C;246 °C;249 °C

Melting Point

-44.0 °C;Freezing point: -44 °C;-44 °C

Flash Point

greater than 230 °F (USCG, 1999);245 °F (118 °C) (OPEN CUP);114.4 °C c.c.

Density

1.026 (USCG, 1999);1.0494;Relative density (water = 1): 1.05

Solubility

6.09 M;In water, miscible;Soluble in water;Solubility in heptane = 1.5 wt%, completely soluble in acetone, benzene, ethyl ether, methanol, and carbon tetrachloride at 25 °C.;Solubility in water: miscible

Application

Methyltrioxitol is a versatile and essential colorless liquid that is soluble in water and serves as a combustible reagent and solvent for various applications. Its primary uses include the modification of anthraquinone materials for enhancing redox flow batteries, the preparation of polymeric electrolytes for advanced electrochemical devices, and the formation of binary systems with polyethylene glycol, which are crucial for the absorption of silica. This hydroxypolyether, a monomethyl ether derivative of triethylene glycol, is also recognized as a metabolite in cancer metabolism. With its m-PEG3-alcohol structure, Methyltrioxitol contains a hydroxyl group that permits further chemical modification or the introduction of other reactive functional groups. Furthermore, the hydrophilic PEG spacer incorporated within its structure significantly increases its solubility in aqueous media, enhancing its utility across various scientific and industrial applications.

Color/Form

Colorless liquid

Complexity

67.5

Covalently-Bonded Unit Count

EC Number

203-962-1

Exact Mass

164.104859g/mol

Formal Charge

Heavy Atom Count

ICSC Number

1291

Log P

log Kow = -1.46 (est);-1.46 (calculated)

Monoisotopic Mass

164.104859g/mol

NSC Number

97395

Other Experimental

Viscosity = 280 cSt (-40 °C);lb/gal = 8.80 at 25 °C. VP: <0.01 mm Hg at 25 °C;Henry's Law constant = 3.50X10-14 atm-cu m/mol at 25 °C (est);Hydroxyl radical reaction rate constant = 4.00X10-11 cu cm/molec-sec at 25 °C (est)

Refractive Index

Refractive index = 1.4381 @ 21 °C

Rotatable Bond Count

RTECS Number

KL6390000

UNII

DN0P4Q4I16

Vapor Density

Relative vapor density (air = 1): 5.7

Vapor Pressure

3.50X10-3 mm Hg at 25 °C (est);Vapor pressure, Pa at 20 °C: 10

Viscosity