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  • Bis(2-ethylhexyl) fumarate

    • Bis(2-ethylhexyl) fumarate

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    Catalog Number
    ACM141026-3
    CAS Number
    141-02-6
    Product Name
    Bis(2-ethylhexyl) fumarate
    Structure
    Category
    Plastic Additives; Polymers; Plasticizers
    Synonyms
    Di(2-ethylhexyl) fumarate
    Description
    Liquid
    IUPAC Name
    Bis(2-ethylhexyl) (E)-but-2-enedioate
    Molecular Weight
    340.5
    Molecular Formula
    C20H36O4
    Canonical SMILES
    CCCCC(CC)COC(=O)C=CC(=O)OCC(CC)CCCC
    InChI
    InChI=1S/C20H36O4/c1-5-9-11-17(7-3)15-23-19(21)13-14-20(22)24-16-18(8-4)12-10-6-2/h13-14,17-18H,5-12,15-16H2,1-4H3/b14-13+
    InChI Key
    ROPXFXOUUANXRR-BUHFOSPRSA-N
    Boiling Point
    185 °C
    Melting Point
    −58 °C
    Flash Point
    190 °C
    Purity
    98%+
    Density
    0.94 g/mL
    Solubility
    2.94e-04 M
    Complexity
    329
    Covalently-Bonded Unit Count
    1
    Defined Atom Stereocenter Count
    0
    Defined Bond Stereocenter Count
    1
    EC Number
    205-448-2
    Exact Mass
    340.26135963
    Formal Charge
    0
    Heavy Atom Count
    24
    Hydrogen Bond Acceptor Count
    4
    Hydrogen Bond Donor Count
    0
    Isomeric SMILES
    CCCCC(CC)COC(=O)/C=C/C(=O)OCC(CC)CCCC
    Isotope Atom Count
    0
    Monoisotopic Mass
    340.26135963
    NSC Number
    163916;6375
    Rotatable Bond Count
    16
    Topological Polar Surface Area
    52.6 Ų
    Undefined Atom Stereocenter Count
    2
    Undefined Bond Stereocenter Count
    0
    UNII
    19Q90W09ES
    XLogP3
    6.5
    MSDS
    Download MSDS
    COA
    Download COA
    Spec Sheet
    Download Spec Sheet
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