Ethoxylated trimethylolpropane

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Molecular Formula:

(C2H4O)n(C2H4O)n(C2H4O)nC6H14O3

CAS Number:

50586-59-9

Catalog Number:

50586-59-9

Product Information

Molecular Formula:

(C2H4O)n(C2H4O)n(C2H4O)nC6H14O3

Description

Ethoxylated trimethylolpropane can be used as a diluent comonomer in dimethacrylate based dental composites and a branching agent in the atom transfer radical polymerization (ATRP) of styrene.

Synonyms

Poly(oxy-1,2-ethanediyl), α-hydro-ω-hydroxy-, ether with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol (3:1); Polyethylene glycol-trimethylolpropane adduct; Polyethylene glycol trimethylolpropane triether; Trimethylolpropane polyethylene glycol ether; Ethoxylated trimethylolpropane; Polyethylene glycol ether with trimethylolpropane; Isonol 93

Canonical SMILES

CCC(COCCO)(COCCO)COCCO

InChI

InChI=1S/C12H26O6/c1-2-12(9-16-6-3-13,10-17-7-4-14)11-18-8-5-15/h13-15H,2-11H2,1H3

InChI Key

GBDSXXVXXJCALK-UHFFFAOYSA-N

Boiling Point

170-172 °C at 5 mmHg(lit.)

Flash Point

444.2 °F

Appearance

viscous liquid

Storage

2-8°C

Refractive Index

n20/D 1.478

Computed Properties

XLogP3

-1.3

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

266.17293854 g/mol

Monoisotopic Mass

266.17293854 g/mol

Topological Polar Surface Area

88.4Å²

Heavy Atom Count

Formal Charge

Complexity

149

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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Concentration _(final)

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Ethoxylated trimethylolpropane

Product Information

Computed Properties

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