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  • Diundecyl Phthalate (mixture of branched chain isomers)

    Catalog Number
    ACM96507867-1
    CAS Number
    96507-86-7
    Product Name
    Diundecyl Phthalate (mixture of branched chain isomers)
    Structure
    Category
    Plastic Additives; Polymerization Additives
    IUPAC Name
    bis(9-methyldecyl) benzene-1,2-dicarboxylate
    Molecular Weight
    474.7g/mol
    Molecular Formula
    C30H50O4
    Canonical SMILES
    CC(C)CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCC(C)C
    InChI
    InChI=1S/C30H50O4/c1-25(2)19-13-9-5-7-11-17-23-33-29(31)27-21-15-16-22-28(27)30(32)34-24-18-12-8-6-10-14-20-26(3)4/h15-16,21-22,25-26H,5-14,17-20,23-24H2,1-4H3
    InChI Key
    LGBAGUMSAPUZPU-UHFFFAOYSA-N
    Complexity
    468
    Covalently-Bonded Unit Count
    1
    EC Number
    306-165-8
    Exact Mass
    474.37091g/mol
    Formal Charge
    0
    Heavy Atom Count
    34
    Monoisotopic Mass
    474.37091g/mol
    NSC Number
    17081
    Rotatable Bond Count
    22
    XLogP3
    11.7
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