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    • Dibutyl fumarate

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    Catalog Number
    ACM105759-1
    CAS Number
    105-75-9
    Product Name
    Dibutyl fumarate
    Structure
    Category
    Plastic Additives; Polymers; Plasticizers
    Synonyms
    dibutyl (E)-but-2-enedioate
    IUPAC Name
    Dibutyl (E)-but-2-enedioate
    Molecular Weight
    228.28
    Molecular Formula
    C12H20O4
    Canonical SMILES
    CCCCOC(=O)C=CC(=O)OCCCC
    InChI
    InChI=1S/C12H20O4/c1-3-5-9-15-11(13)7-8-12(14)16-10-6-4-2/h7-8H,3-6,9-10H2,1-2H3/b8-7+
    InChI Key
    JBSLOWBPDRZSMB-BQYQJAHWSA-N
    Boiling Point
    141 °C
    Melting Point
    -18 °C
    Flash Point
    90 °C
    Purity
    97%
    Density
    0.98 g/cm3
    Appearance
    Colorless to Almost colorless clear liquid
    Complexity
    209
    Covalently-Bonded Unit Count
    1
    Defined Atom Stereocenter Count
    0
    Defined Bond Stereocenter Count
    1
    EC Number
    203-327-9
    Exact Mass
    228.1361
    Formal Charge
    0
    Heavy Atom Count
    16
    Hydrogen Bond Acceptor Count
    4
    Hydrogen Bond Donor Count
    0
    Isomeric SMILES
    CCCCOC(=O)/C=C/C(=O)OCCCC
    Isotope Atom Count
    0
    MeSH Entry Terms
    di-n-butyl fumarate;dibutyl fumarate
    Monoisotopic Mass
    228.1361
    NSC Number
    165581;140
    Rotatable Bond Count
    10
    Topological Polar Surface Area
    52.6 Ų
    Undefined Atom Stereocenter Count
    0
    Undefined Bond Stereocenter Count
    0
    UNII
    CQM31Z1NU9
    Viscosity
    6.9cp (25°C)
    XLogP3
    2.7
    MSDS
    Download MSDS
    COA
    Download COA
    Spec Sheet
    Download Spec Sheet
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