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    • Diethyl Fumarate

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    Catalog Number
    ACM623916
    CAS Number
    623-91-6
    Product Name
    Diethyl Fumarate
    Structure
    Category
    Polymers
    IUPAC Name
    diethyl (E)-but-2-enedioate
    Molecular Weight
    172.18g/mol
    Molecular Formula
    C8H12O4
    Canonical SMILES
    CCOC(=O)C=CC(=O)OCC
    InChI
    InChI=1S/C8H12O4/c1-3-11-7(9)5-6-8(10)12-4-2/h5-6H,3-4H2,1-2H3/b6-5+
    InChI Key
    IEPRKVQEAMIZSS-AATRIKPKSA-N
    Boiling Point
    218.5 °C;214 °C
    Melting Point
    -3.65 °C;0.8 °C
    Flash Point
    104 °C Closed Cup
    Density
    1.0452 g/cu cm at 20 °C
    Solubility
    Insoluble in water; soluble in acetone and choloform;SLIGHTLY SOL IN WATER;In water, 1.91X10+3 mg/L at 25 °C (est)
    Color/Form
    White crystal or in liquid form
    Complexity
    164
    Covalently-Bonded Unit Count
    1
    EC Number
    210-819-7
    Exact Mass
    172.073559g/mol
    Formal Charge
    0
    Heavy Atom Count
    12
    Log P
    log Kow = 2.20 (est)
    MeSH Entry Terms
    diethyl fumarate;fumaric acid, diethyl ester
    Monoisotopic Mass
    172.073559g/mol
    NSC Number
    20954
    Other Experimental
    Vapor pressure: 1 mm Hg at 53.2 °C;Conversion factor: 7.03 mg/cu m = 1ppm;Henry's Law constant = 2.44X10-7 atm-cu m/mol at 25 °C (est);Hydroxyl radical reaction rate constant = 1.02X10-11 cu cm/molec-sec at 25 °C (est)
    Rotatable Bond Count
    6
    UNII
    5WBU5A3E8A
    Vapor Density
    5.93 (Air = 1)
    Vapor Pressure
    0.178 mm Hg at 25 °C (est)
    XLogP3
    0.9
    MSDS
    Download MSDS
    COA
    Download COA
    Spec Sheet
    Download Spec Sheet
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