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  • Trimellitic acid tri-n-butyl ester

    • Trimellitic acid tri-n-butyl ester

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    Catalog Number
    ACM1726234-1
    Product Name
    Trimellitic acid tri-n-butyl ester
    Structure
    CAS
    1726-23-4
    Category
    Plastic Additives
    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
    MSDS
    Download MSDS
    COA
    Download COA
    Spec Sheet
    Download Spec Sheet
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