Trimellitic acid tri-n-butyl ester

• CAS: 1726-23-4
• Catalog Number: ACM1726234-1
• Category: Other Products
• Molecular Weight: 378.5
• Molecular Formula: C21H30O6
• Synonyms: Tributyl trimellitate
• 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: 220 °C
• Flash Point: 215 °C
• 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
• H-Bond Acceptor: 6
• H-Bond Donor: 0
• Heavy Atom Count: 27
• Hydrogen Bond Acceptor Count: 6
• Hydrogen Bond Donor Count: 0
• Isotope Atom Count: 0
• Monoisotopic Mass: 378.20423867
• Physical State: Liquid
• 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