TRIMELLITIC ACID TRI-N-BUTYL ESTER

Inquiry

Molecular Formula:

C21H30O6

Molecular Weight:

378.46

CAS Number:

1726-23-4

Catalog Number:

1726-23-4

Product Information

Molecular Formula:

C21H30O6

Molecular Weight:

378.46

Description

Encompassing intricate structural aspects, Trimellitic Acid Tri-n-butyl Ester is a commonly employed chemical compound within the sphere of biomedicine. Functioning as a plasticizer, this compound assumes a pivotal role in formulating diverse pharmaceuticals and medical equipment. Its significance amplifies in the context of pharmacological interventions devised for combating inflammatory disorders, inclusive of autoimmune maladies.

Synonyms

TRIBUTYL TRIMELLITATE; TRIMELLITIC ACID TRI-N-BUTYL ESTER; TRIMELLITIC ACID TRIBUTYL ESTER; 1,2,4-BENZENETRICARBOXYLIC ACID TRIBUTYL ESTER; Tri-n-butyltrimelitate; tributyl benzene-1,2,4-tricarboxylate

IUPAC Name

tributyl benzene-1,2,4-tricarboxylate

Canonical SMILES

CCCCOC(=O)C1=CC(=C(C=C1)C(=O)OCCCC)C(=O)OCCCC

InChI

InChI=1S/C21H30O6/c1-4-7-12-25-19(22)16-10-11-17(20(23)26-13-8-5-2)18(15-16)21(24)27-14-9-6-3/h10-11,15H,4-9,12-14H2,1-3H3

InChI Key

RJIFVNWOLLIBJV-UHFFFAOYSA-N

Boiling Point

451.6ºC at 760mmHg

Flash Point

215 °C

Purity

95%

Density

1,06 g/cm³

Appearance

Colorless to Light yellow clear liquid

Refractive Index

1.49

Computed Properties

XLogP3

5.8

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

378.20423867 g/mol

Monoisotopic Mass

378.20423867 g/mol

Topological Polar Surface Area

78.9Å²

Heavy Atom Count

Formal Charge

Complexity

462

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)

Mass

Concentration

Volume

Molecular Weight *

Calculate

The dilution calculator equation

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

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

Concentration _(start)

Volume _(start)

Concentration _(final)

Volume _(final)

Calculate

TRIMELLITIC ACID TRI-N-BUTYL ESTER

Product Information

Computed Properties

Related Products