Trimellitic acid tri-n-butyl ester

CAS
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CAS
1726-23-4
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Purity
98%+
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Catalog Number

ACM1726234-1

Product Name

Trimellitic acid tri-n-butyl ester

Structure

CAS

1726-23-4

Category

Heterocyclic Organic Compound

Synonyms

Tributyl trimellitate

IUPAC Name

Tributyl benzene-1,2,4-tricarboxylate

Molecular Weight

378.5

Molecular Formula

C21H30O6

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

220 °C

Flash Point

215 °C

Density

1.06 g/cm3

Complexity

462

Covalently-Bonded Unit Count

Defined Atom Stereocenter Count

Defined Bond Stereocenter Count

EC Number

217-038-0

Exact Mass

378.20423867

Formal Charge

H-Bond Acceptor

H-Bond Donor

Heavy Atom Count

Hydrogen Bond Acceptor Count

Hydrogen Bond Donor Count

Isotope Atom Count

Monoisotopic Mass

378.20423867

Physical State

Liquid

Rotatable Bond Count

Topological Polar Surface Area

78.9 Å²

Undefined Atom Stereocenter Count

Undefined Bond Stereocenter Count

UNII

YK7E10APJM

XLogP3

5.8

MSDS

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COA

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Spec Sheet

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