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  • Acetyl Trioctyl Citrate (ATOC)

  • Acetyl Trioctyl Citrate (ATOC)

    Catalog Number
    ACM144150-1
    CAS Number
    144-15-0
    Product Name
    Acetyl Trioctyl Citrate (ATOC)
    Structure
    Category
    Plasticizers; Resin Additives
    IUPAC Name
    tris(2-ethylhexyl) 2-acetyloxypropane-1,2,3-tricarboxylate
    Molecular Weight
    570.8g/mol
    Molecular Formula
    C32H58O8
    Canonical SMILES
    CCCCC(CC)COC(=O)CC(CC(=O)OCC(CC)CCCC)(C(=O)OCC(CC)CCCC)OC(=O)C
    InChI
    InChI=1S/C32H58O8/c1-8-14-17-26(11-4)22-37-29(34)20-32(40-25(7)33,31(36)39-24-28(13-6)19-16-10-3)21-30(35)38-23-27(12-5)18-15-9-2/h26-28H,8-24H2,1-7H3
    InChI Key
    FRDNONBEXWDRDM-UHFFFAOYSA-N
    Complexity
    686
    Covalently-Bonded Unit Count
    1
    EC Number
    205-617-0
    Exact Mass
    570.413169g/mol
    Formal Charge
    0
    Heavy Atom Count
    40
    MeSH Entry Terms
    acetyl trioctyl citrate
    Monoisotopic Mass
    570.413169g/mol
    Rotatable Bond Count
    28
    UNII
    150CTM9A3J
    XLogP3
    8.9
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