ISOOCTYL TALLATE, TECH.

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Molecular Formula:

C24H51O3Tl

Molecular Weight:

592

CAS Number:

68333-78-8

Catalog Number:

68333-78-8

Product Information

Molecular Formula:

C24H51O3Tl

Molecular Weight:

592

Description

Plasticizer

Synonyms

Fatty acids, talloil, isooctyl esters

IUPAC Name

tris(6-methylheptoxy)thallane

Canonical SMILES

CC(C)CCCCCO[Tl](OCCCCCC(C)C)OCCCCCC(C)C

InChI

InChI=1S/3C8H17O.Tl/c3*1-8(2)6-4-3-5-7-9/h3*8H,3-7H2,1-2H3/q3*-1+3

InChI Key

BWRTUFTXSMWLSX-UHFFFAOYSA-N

Boiling Point

>316 °C(lit.)

Flash Point

>235.4 °F

Purity

97%

Appearance

viscous liquid

Refractive Index

n20/D 1.461 (lit.)

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

592.35825 g/mol

Monoisotopic Mass

592.35825 g/mol

Topological Polar Surface Area

27.7Å²

Heavy Atom Count

Formal Charge

Complexity

261

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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ISOOCTYL TALLATE, TECH.

Product Information

Computed Properties

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