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  • 1,4-Cyclohexanedimethanol (cis- and trans- mixture)

  • 1,4-Cyclohexanedimethanol (cis- and trans- mixture)

    Catalog Number
    ACM105088
    CAS Number
    105-08-8
    Product Name
    1,4-Cyclohexanedimethanol (cis- and trans- mixture)
    Structure
    Category
    Monomers
    Description
    OtherSolid; WetSolid
    IUPAC Name
    [4-(hydroxymethyl)cyclohexyl]methanol
    Molecular Weight
    144.21g/mol
    Molecular Formula
    C8H16O2
    Canonical SMILES
    C1CC(CCC1CO)CO
    InChI
    InChI=1S/C8H16O2/c9-5-7-1-2-8(6-10)4-3-7/h7-10H,1-6H2
    InChI Key
    YIMQCDZDWXUDCA-UHFFFAOYSA-N
    Boiling Point
    285.0 °C;286 °C (cis-isomer), 283 °C (trans-isomer)
    Melting Point
    51.0 °C;43 °C (cis-isomer), 67 °C (trans-isomer)
    Flash Point
    330 °F OC
    Density
    1.0381 at 25 °C/4 °C
    Solubility
    In water, 920,000 mg/L at 20 °C;Solluble in ethyl alcohol
    Application
    1,4-Cyclohexanedimethanol (cis- and trans- mixture) serves a vital role in various industrial applications due to its unique chemical properties. Typically appearing as a white waxy solid or transforming into a clear, colorless viscous liquid upon melting, this compound is notable for its versatility. It acts as a precursor to polyesters and is an essential co-monomer in the production of polyethylene terephthalate (PET), which is widely used in packaging materials. Additionally, 1,4-cyclohexanedimethanol contributes to the manufacturing of polyester fibers, electrical appliances, unsaturated polyester resins, polyester glaze, and polyurethane foam. Its application extends further to the production of lubricants and hydraulic fluids. The compound is also utilized in the synthesis of polyketal copolymers and serves as a diol comonomer in creating polyester-carbonates based on 1,3-propylene-co-1,4-cyclohexanedimethylene succinate, demonstrating its adaptability and indispensability in polymer science and engineering.
    Color/Form
    Liquid;White waxy solid
    Complexity
    73.3
    Covalently-Bonded Unit Count
    1
    EC Number
    203-268-9
    Exact Mass
    144.11503g/mol
    Formal Charge
    0
    Heavy Atom Count
    10
    Log P
    log Kow = 1.14 /Estimated by Experimental Value Adjustment method using cyclohexanediol/
    MeSH Entry Terms
    1,4-cyclohexanedimethanol;cyclohexanedimethanol
    Monoisotopic Mass
    144.11503g/mol
    NSC Number
    44508
    Odor
    Sweet (1,3/1,4-cyclohexanedimethanol mixture);Mild hydrocarbon odor
    Other Experimental
    Henry's Law constant = 6.4X10-11 atm-cu m/mol at 25 °C (est);Hydroxyl radical reaction rate constant = 2.1X10-11 cu cm/molec-sec at 25 °C (est)
    Refractive Index
    Index of refraction: 1.4893 at 20 °C/D
    Rotatable Bond Count
    2
    UNII
    47A69Y3G5M;7I8476P8P0
    Vapor Density
    5 (Air = 1)
    Vapor Pressure
    3.08e-04 mmHg;3.08X10-4 mm Hg at 25 °C
    Viscosity
    877 cP at 50 °C, supercooled
    XLogP3
    0.6
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