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  • 1,1,1-Tris(hydroxymethyl)ethane

  • 1,1,1-Tris(hydroxymethyl)ethane

    Catalog Number
    ACM77850
    CAS Number
    77-85-0
    Product Name
    1,1,1-Tris(hydroxymethyl)ethane
    Structure
    Category
    Monomers
    Description
    DryPowder
    IUPAC Name
    2-(hydroxymethyl)-2-methylpropane-1,3-diol
    Molecular Weight
    120.15g/mol
    Molecular Formula
    C5H12O3
    Canonical SMILES
    CC(CO)(CO)CO
    InChI
    InChI=1S/C5H12O3/c1-5(2-6,3-7)4-8/h6-8H,2-4H2,1H3
    InChI Key
    QXJQHYBHAIHNGG-UHFFFAOYSA-N
    Boiling Point
    283.0 °C;283 °C
    Melting Point
    204.0 °C;204 °C
    Purity
    98+%
    Density
    1.210 g/cu cm at 20 °C
    Solubility
    Miscible in water and ethanol; insoluble in diethyl ether and benzene; very soluble in acetic acid;Soluble in water and ethanol;In water, 140 g per 100 g at 25 °C
    Color/Form
    White powder or needles from alcohol;Colorless crystals
    Complexity
    50.4
    Covalently-Bonded Unit Count
    1
    EC Number
    201-063-9
    Exact Mass
    120.078644g/mol
    Formal Charge
    0
    Heavy Atom Count
    8
    Log P
    log Kow = -0.30 (est)
    MeSH Entry Terms
    1,1,1-tris(hydroxymethyl)ethane
    Monoisotopic Mass
    120.078644g/mol
    NSC Number
    65581
    Other Experimental
    BP: 137 °C at 15 mm Hg;Hygroscopic;Henry's Law constant = 1.1X10-8 atm-cu m/mole at 25 °C (est);Hydroxyl radical reaction rate constant = 1.3X10-11 cu cm/molecule-sec at 25 °C (est)
    Rotatable Bond Count
    3
    UNII
    5D10NYN23W
    Vapor Pressure
    1.7X10-6 mm Hg at 25 °C (est)
    XLogP3
    -1.2
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