Dodecanedioic acid di(2-ethylhexyl) ester

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Molecular Formula:

C28H54O4

Molecular Weight:

454.73

CAS Number:

19074-24-9

Catalog Number:

19074-24-9

Product Information

Molecular Formula:

C28H54O4

Molecular Weight:

454.73

Description

Dodecanedioic acid di(2-ethylhexyl) ester is a biomedical compound commonly used in the drug development of various diseases. It is primarily utilized as a pharmaceutical intermediate for synthesizing drugs targeting cholesterol-related disorders, such as atherosclerosis and hyperlipidemia. Its distinctive chemical properties make it suitable for formulating medications that effectively regulate lipid metabolism and promote cardiovascular health.

Synonyms

Dodecanedioicacid,bis(2-ethylhexyl)ester; DI(2-ETHYLHEXYL) DODECANEDIOATE; DODECANEDIOIC ACID DIOCTYL ESTER; DODECANEDIOIC ACID DI(2-ETHYLHEXYL) ESTER; DIOCTYL DODECANEDIOATE; BIS(2-ETHYLHEXYL) DODECANEDIOATE; BIS(2-ETHYLHEXYL) DODECANOATE

IUPAC Name

bis(2-ethylhexyl) dodecanedioate

Canonical SMILES

CCCCC(CC)COC(=O)CCCCCCCCCCC(=O)OCC(CC)CCCC

InChI

InChI=1S/C28H54O4/c1-5-9-19-25(7-3)23-31-27(29)21-17-15-13-11-12-14-16-18-22-28(30)32-24-26(8-4)20-10-6-2/h25-26H,5-24H2,1-4H3

InChI Key

MTPSFISGWJGUGN-UHFFFAOYSA-N

Boiling Point

267 °C/6 mmHg

Flash Point

230 °C

Purity

>94.0%(GC)

Density

0.91

Appearance

Colorless to Almost colorless clear liquid

Refractive Index

1.45

Computed Properties

XLogP3

10.1

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

454.40221020 g/mol

Monoisotopic Mass

454.40221020 g/mol

Topological Polar Surface Area

52.6Å²

Heavy Atom Count

Formal Charge

Complexity

395

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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Dodecanedioic acid di(2-ethylhexyl) ester

Product Information

Computed Properties

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