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  • 1,3-Propanediol,2-butyl-2-ethyl-

  • 1,3-Propanediol,2-butyl-2-ethyl-

    Catalog Number
    ACM115844
    CAS Number
    115-84-4
    Product Name
    1,3-Propanediol,2-butyl-2-ethyl-
    Structure
    Category
    Monomers
    Description
    OtherSolid; PelletsLargeCrystals
    IUPAC Name
    2-butyl-2-ethylpropane-1,3-diol
    Molecular Weight
    160.25g/mol
    Molecular Formula
    C9H20O2
    Canonical SMILES
    CCCCC(CC)(CO)CO
    InChI
    InChI=1S/C9H20O2/c1-3-5-6-9(4-2,7-10)8-11/h10-11H,3-8H2,1-2H3
    InChI Key
    DSKYSDCYIODJPC-UHFFFAOYSA-N
    Boiling Point
    262.0 °C
    Melting Point
    43.8 °C
    Purity
    99%
    Complexity
    87.6
    Covalently-Bonded Unit Count
    1
    EC Number
    204-111-7
    Exact Mass
    160.14633g/mol
    Formal Charge
    0
    Heavy Atom Count
    11
    MeSH Entry Terms
    2-butyl-2-ethyl-1,3-propanediol
    Monoisotopic Mass
    160.14633g/mol
    NSC Number
    406603
    Rotatable Bond Count
    6
    UNII
    61P3KJ8K4Y
    Vapor Pressure
    1.00e-04 mmHg
    XLogP3
    1.8
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