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

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Methyltrioxitol

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Catalog Number

ACM112356-2

Product Name

Methyltrioxitol

Structure

CAS

112-35-6

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

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