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  • 1-Hexadecanethiol

    • 1-Hexadecanethiol

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    Catalog Number
    ACM2917262-1
    Product Name
    1-Hexadecanethiol
    Structure
    CAS
    2917-26-2
    Category
    Self-Assembly Materials
    Description
    1-hexadecanethiol appears as colorless liquid or white solid (below 19° C) with a strong unpleasant odor. Density (as liquid at 25°C): 0.83 g/cm³.;LIQUID WITH CHARACTERISTIC ODOUR.;Colorless liquid or solid (below 64-68°F) with a strong odor.
    IUPAC Name
    hexadecane-1-thiol
    Molecular Weight
    258.5g/mol
    Molecular Formula
    CH3(CH2)15SH;C16H34S;C16H34S
    Canonical SMILES
    CCCCCCCCCCCCCCCCS
    InChI
    InChI=1S/C16H34S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3
    InChI Key
    ORTRWBYBJVGVQC-UHFFFAOYSA-N
    Boiling Point
    334.0 °C
    Melting Point
    64 to 68 °F (NIOSH, 2016);19.0 °C;18 °C;64-68°F
    Flash Point
    215 °F (NIOSH, 2016);135 °C o.c.;215°F
    Density
    0.85 (NIOSH, 2016);Relative density (water = 1): 0.84;0.85
    Solubility
    Insoluble (NIOSH, 2016);Solubility in water: none;Insoluble
    Complexity
    123
    Covalently-Bonded Unit Count
    1
    EC Number
    220-846-6
    Exact Mass
    258.238122g/mol
    Formal Charge
    0
    Heavy Atom Count
    17
    ICSC Number
    0025
    MeSH Entry Terms
    1-hexadecanethiol;hexadecane-1-thiol;hexadecanethiol
    Monoisotopic Mass
    258.238122g/mol
    NSC Number
    229568;57866
    Rotatable Bond Count
    14
    UNII
    QR98QIO1QL
    UN Number
    1228;3071;1228
    Vapor Density
    Relative vapor density (air = 1): 8.9
    Vapor Pressure
    0.1 mm Hg (NIOSH, 2016);1.03e-05 mmHg;Vapor pressure, Pa at 20 °C: 10;0.1 mmHg
    XLogP3
    8.3
    MSDS
    Download MSDS
    COA
    Download COA
    Spec Sheet
    Download Spec Sheet
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