Butanedioic acid,2-methylene-, 1,4-dibutyl ester

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Molecular Formula:

C13H22 O4

Molecular Weight:

242.31

CAS Number:

2155-60-4

Catalog Number:

2155-60-4

Product Information

Molecular Formula:

C13H22 O4

Molecular Weight:

242.31

Description

Bis(2-ethylhexyl)sebacate has been used as a platicizer for styrene resins, PVC, nitrocelluloses, and other plastics. Bis(2-ethylhexyl)sebacate has been used in the construction of ion-selective polymeric membrane electrodes.

Synonyms

Butanedioic acid, methylene-, dibutyl ester; Butanedioicacid,methylene-,dibutylester; Dibutyl 2-methylenesuccinate; methylene-butanedioicacidibutylester; Succinic acid, methylene-, dibutyl ester; DIBUTYL METHYLENESUCCINATE; DIBUTYL ITACONATE; DI-N-BUTYL ITACONA

IUPAC Name

dibutyl 2-methylidenebutanedioate

Canonical SMILES

CCCCOC(=O)CC(=C)C(=O)OCCCC

InChI

InChI=1S/C13H22O4/c1-4-6-8-16-12(14)10-11(3)13(15)17-9-7-5-2/h3-10H2,1-2H3

InChI Key

OGVXYCDTRMDYOG-UHFFFAOYSA-N

Boiling Point

284 °C(lit.)

Flash Point

>235.4 °F

Purity

N/A

Density

0.989g/cm3

Refractive Index

n20/D 1.444 (lit.)

Computed Properties

XLogP3

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

242.15180918 g/mol

Monoisotopic Mass

242.15180918 g/mol

Topological Polar Surface Area

52.6Å²

Heavy Atom Count

Formal Charge

Complexity

258

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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Butanedioic acid,2-methylene-, 1,4-dibutyl ester

Product Information

Computed Properties

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