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  • Benzyl Isononyl Phthalate (mixture of branched chain isomers)

    Catalog Number
    ACM126198741-1
    CAS Number
    126198-74-1
    Product Name
    Benzyl Isononyl Phthalate (mixture of branched chain isomers)
    Structure
    Category
    Plastic Additives
    IUPAC Name
    2-O-benzyl 1-O-(7-methyloctyl) benzene-1,2-dicarboxylate
    Molecular Weight
    382.5g/mol
    Molecular Formula
    C24H30O4
    Canonical SMILES
    CC(C)CCCCCCOC(=O)C1=CC=CC=C1C(=O)OCC2=CC=CC=C2
    InChI
    InChI=1S/C24H30O4/c1-19(2)12-6-3-4-11-17-27-23(25)21-15-9-10-16-22(21)24(26)28-18-20-13-7-5-8-14-20/h5,7-10,13-16,19H,3-4,6,11-12,17-18H2,1-2H3
    InChI Key
    IZTZLYGDXPHVQF-UHFFFAOYSA-N
    Complexity
    454
    Covalently-Bonded Unit Count
    1
    Exact Mass
    382.214409g/mol
    Formal Charge
    0
    Heavy Atom Count
    28
    Monoisotopic Mass
    382.214409g/mol
    Rotatable Bond Count
    13
    XLogP3
    7.3
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