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Diundecyl Phthalate (mixture of branched chain isomers)

Diundecyl Phthalate (mixture of branched chain isomers)

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Molecular Formula:

C30H50O4

Molecular Weight:

474.73

CAS Number:

96507-86-7

Catalog Number:

96507-86-7

Product Information

Molecular Formula:

C30H50O4

Molecular Weight:

474.73

Description

Diundecyl Phthalate is a mixture of branched chain isomers that is a chemical compound primarily used in the biomedical industry as a plasticizer. It is often employed in the formulation of medical devices, such as catheters and blood bags, to enhance their flexibility and durability. Additionally, it finds application in the production of pharmaceutical coatings and carriers due to its film-forming properties and biocompatibility.

Synonyms

Phthalic Acid Diundecyl Ester (mixture of branched chain isomers)

IUPAC Name

bis(9-methyldecyl) benzene-1,2-dicarboxylate

Canonical SMILES

CC(C)CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCC(C)C

InChI

InChI=1S/C30H50O4/c1-25(2)19-13-9-5-7-11-17-23-33-29(31)27-21-15-16-22-28(27)30(32)34-24-18-12-8-6-10-14-20-26(3)4/h15-16,21-22,25-26H,5-14,17-20,23-24H2,1-4H3

InChI Key

LGBAGUMSAPUZPU-UHFFFAOYSA-N

Boiling Point

267 °C/3 mmHg

Flash Point

239 °C

Purity

>98.0%(T)

Density

0.95

Appearance

Colorless to Almost colorless clear liquid

Refractive Index

1.48

Computed Properties

XLogP3

11.7

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

474.37091007 g/mol

Monoisotopic Mass

474.37091007 g/mol

Topological Polar Surface Area

52.6Å²

Heavy Atom Count

Formal Charge

Complexity

468

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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Diundecyl Phthalate (mixture of branched chain isomers)

Product Information

Computed Properties

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