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Trimellitic acid tri-n-butyl ester

Catalog NumberACM1726234-1

CAS Number1726-23-4

CategoryPlastic Additives

Trimellitic acid tri-n-butyl ester
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
Purity
98%+
Density
1.06 g/cm3
Complexity
462
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
EC Number
217-038-0
Exact Mass
378.20423867
Formal Charge
0
Heavy Atom Count
27
Hydrogen Bond Acceptor Count
6
Hydrogen Bond Donor Count
0
Isotope Atom Count
0
Monoisotopic Mass
378.20423867
Rotatable Bond Count
15
Topological Polar Surface Area
78.9 Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
UNII
YK7E10APJM
XLogP3
5.8
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