Triisononyl trimellitate

• Catalog Number: ACM53894238-1
• Product Name: Triisononyl trimellitate
• CAS: 53894-23-8
• Category: Polymer/Macromolecule
• Synonyms: Triisononyl benzene-1,2,4-tricarboxylate
• IUPAC Name: Tris(7-methyloctyl) benzene-1,2,4-tricarboxylate
• Molecular Weight: 588.9
• Molecular Formula: C36H60O6
• Canonical SMILES: CC(C)CCCCCCOC(=O)C1=CC(=C(C=C1)C(=O)OCCCCCCC(C)C)C(=O)OCCCCCCC(C)C
• InChI: InChI=1S/C36H60O6/c1-28(2)19-13-7-10-16-24-40-34(37)31-22-23-32(35(38)41-25-17-11-8-14-20-29(3)4)33(27-31)36(39)42-26-18-12-9-15-21-30(5)6/h22-23,27-30H,7-21,24-26H2,1-6H3
• InChI Key: YPDXSCXISVYHOB-UHFFFAOYSA-N
• Boiling Point: 311°C (5mm)
• Flash Point: 465°F
• Density: 0.98 g/mL
• Alpha Sort: Triisononyl trimellitate
• Complexity: 176
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Exact Mass: 588.43898963
• Formal Charge: 0
• Heavy Atom Count: 42
• Hydrogen Bond Acceptor Count: 6
• Hydrogen Bond Donor Count: 0
• Isotope Atom Count: 0
• Monoisotopic Mass: 588.43898963
• Rotatable Bond Count: 27
• Topological Polar Surface Area: 78.9 Ų
• Undefined Atom Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• Viscosity: 430cs (20°C)