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  • 1-Octadecanethiol

    • 1-Octadecanethiol

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    Catalog Number
    ACM2885009-1
    CAS Number
    2885-00-9
    Product Name
    1-Octadecanethiol
    Structure
    Category
    Self-Assembly Materials; Solubility Enhancing Reagents; Self Assembly and Contact Printing Materials
    Description
    1-octadecanethiol appears as white powder with an extremely unpleasant smell. Melting point:31-35°C; bp: 366°C. Stench! May be harmful by ingestion, inhalation or through skin contact. Eye, skin and respiratory irritant.;OILY WHITE SOLID IN VARIOUS FORMS WITH CHARACTERISTIC ODOUR.;White powder with an extremely unpleasant smell.;Solid or liquid (above 77°F).
    IUPAC Name
    octadecane-1-thiol
    Molecular Weight
    286.6g/mol
    Molecular Formula
    C18H38S;CH3-(CH2)17-SH;C18H38S
    Canonical SMILES
    CCCCCCCCCCCCCCCCCCS
    InChI
    InChI=1S/C18H38S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h19H,2-18H2,1H3
    InChI Key
    QJAOYSPHSNGHNC-UHFFFAOYSA-N
    Boiling Point
    360.0 °C
    Melting Point
    77 °F (NIOSH, 2016);30.0 °C;24-31 °C;77°F;77°F
    Flash Point
    185 °C c.c.
    Density
    0.85 (NIOSH, 2016);Relative density (water = 1): 0.85;0.85;0.85
    Solubility
    Insoluble (NIOSH, 2016);Solubility in water: none;Insoluble
    Complexity
    145
    Covalently-Bonded Unit Count
    1
    EC Number
    220-744-1
    Exact Mass
    286.269422g/mol
    Formal Charge
    0
    Heavy Atom Count
    19
    ICSC Number
    1622
    Log P
    9.12 (estimated)
    MeSH Entry Terms
    1-octadecanethiol;n-octadecyl mercaptan
    Monoisotopic Mass
    286.269422g/mol
    NSC Number
    11886;5545
    Rotatable Bond Count
    16
    UN Number
    1228;1228;1228
    Vapor Pressure
    4.00e-07 mmHg
    XLogP3
    9.4
    MSDS
    Download MSDS
    COA
    Download COA
    Spec Sheet
    Download Spec Sheet
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