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  • Bis(2-ethylhexyl) 4-cyclohexene-1,2-dicarboxylate

  • Bis(2-ethylhexyl) 4-cyclohexene-1,2-dicarboxylate

    Catalog Number
    ACM2915493-3
    CAS Number
    2915-49-3
    Product Name
    Bis(2-ethylhexyl) 4-cyclohexene-1,2-dicarboxylate
    Structure
    Category
    Plastic Additives
    Synonyms
    1,2,3,6-Tetrahydrophthalic acid di(2-ethylhexyl)ester
    IUPAC Name
    Bis(2-ethylhexyl) cyclohex-4-ene-1,2-dicarboxylate
    Molecular Weight
    394.6
    Molecular Formula
    C24H42O4
    Canonical SMILES
    CCCCC(CC)COC(=O)C1CC=CCC1C(=O)OCC(CC)CCCC
    InChI
    InChI=1S/C24H42O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h11-12,19-22H,5-10,13-18H2,1-4H3
    InChI Key
    SVVBLKNHJWTATO-UHFFFAOYSA-N
    Boiling Point
    462.9±45.0 °C
    Flash Point
    202 °C
    Purity
    97%+
    Density
    0.97 g/mL
    Complexity
    429
    Covalently-Bonded Unit Count
    1
    Defined Atom Stereocenter Count
    0
    Defined Bond Stereocenter Count
    0
    Exact Mass
    394.30830982
    Formal Charge
    0
    Heavy Atom Count
    28
    Hydrogen Bond Acceptor Count
    4
    Hydrogen Bond Donor Count
    0
    Isotope Atom Count
    0
    Monoisotopic Mass
    394.30830982
    Rotatable Bond Count
    16
    Topological Polar Surface Area
    52.6 Ų
    Undefined Atom Stereocenter Count
    4
    Undefined Bond Stereocenter Count
    0
    XLogP3
    7.4
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