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  • Hexyl Mercaptan

    • Hexyl Mercaptan

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    Catalog Number
    ACM111319-1
    CAS Number
    111-31-9
    Product Name
    Hexyl Mercaptan
    Structure
    Category
    Solubility Enhancing Reagents; Self Assembly and Contact Printing Materials
    Description
    N-hexanethiol is a colorless liquid with an unpleasant odor. Mp: -81°C; bp: 152-153°C. Density 0.838 g cm-3 (at 25°C).;Liquid;COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.;colourless liquid with earthy odour;Colorless liquid with an unpleasant odor.
    IUPAC Name
    hexane-1-thiol
    Molecular Weight
    118.24g/mol
    Molecular Formula
    C6H14S;CH3(CH2)5SH;C6H14S
    Canonical SMILES
    CCCCCCS
    InChI
    InChI=1S/C6H14S/c1-2-3-4-5-6-7/h7H,2-6H2,1H3
    InChI Key
    PMBXCGGQNSVESQ-UHFFFAOYSA-N
    Boiling Point
    304 °F at 760 mm Hg (NIOSH, 2016);151.0 °C;151 °C;304°F
    Melting Point
    -113 °F (NIOSH, 2016);-81.0 °C;Mp -81 °;-81°C;-113°F
    Flash Point
    68 °F (NIOSH, 2016);30 °C;68°F
    Density
    0.84 (NIOSH, 2016);d 0.84;Relative density (water = 1): 0.84;0.824-0.835;0.84
    Solubility
    Insoluble (NIOSH, 2016);Solubility in water: none;soluble in oil and alcohol;Insoluble
    Complexity
    27.4
    Covalently-Bonded Unit Count
    1
    EC Number
    203-857-0
    Exact Mass
    118.081622g/mol
    Formal Charge
    0
    Heavy Atom Count
    7
    ICSC Number
    1523
    Log P
    5.35
    Monoisotopic Mass
    118.081622g/mol
    NSC Number
    99106
    Refractive Index
    nD 1.4482;1.444-1.452
    Rotatable Bond Count
    4
    RTECS Number
    MO4550000
    UNII
    1KH2129A0Q
    UN Number
    1228;3336;1228;1228
    Vapor Density
    Relative vapor density (air = 1): 5.04
    Vapor Pressure
    4.20 mmHg;Vapor pressure, kPa at 40 °C: 0.16
    XLogP3
    3.3
    MSDS
    Download MSDS
    COA
    Download COA
    Spec Sheet
    Download Spec Sheet
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