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  • Cyclohexanethiol

    • Cyclohexanethiol

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    Catalog Number
    ACM1569693
    CAS Number
    1569-69-3
    Product Name
    Cyclohexanethiol
    Structure
    Category
    Self-Assembly Materials; Self Assembly and Contact Printing Materials
    Description
    Cyclohexanethiol appears as a colorless liquid with a strong disagreeable odor. Insoluble in water and less dense than water. Vapors heavier than air. Flash point near 50°F.;COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.;Colorless liquid with a strong, offensive odor.
    IUPAC Name
    cyclohexanethiol
    Molecular Weight
    116.23g/mol
    Molecular Formula
    C6H11SH;C6H12S
    Canonical SMILES
    C1CCC(CC1)S
    InChI
    InChI=1S/C6H12S/c7-6-4-2-1-3-5-6/h6-7H,1-5H2
    InChI Key
    CMKBCTPCXZNQKX-UHFFFAOYSA-N
    Boiling Point
    316 °F at 760 mm Hg (NIOSH, 2016);158.9 °C;158.9 °C @ 760 MM HG;158 °C;316°F
    Melting Point
    -181 °F (NIOSH, 2016);-118 °C;-181°F
    Flash Point
    110 °F (NIOSH, 2016);110 °F; 43 °C (CLOSED CUP);43 °C c.c.;110°F
    Density
    0.98 (NIOSH, 2016);0.9782 @ 20 °C/4 °C;Relative density (water = 1): 0.98;0.98
    Solubility
    Insoluble (NIOSH, 2016);SOL IN ALCOHOL, ETHER, ACETONE, BENZENE, CHLOROFORM;Soluble in oxygenated and chlorinated solvents.;Solubility in water: none;Insoluble
    Color/Form
    Liquid;Colorless liquid.
    Complexity
    46.1
    Covalently-Bonded Unit Count
    1
    EC Number
    216-378-7
    Exact Mass
    116.065972g/mol
    Formal Charge
    0
    Heavy Atom Count
    7
    ICSC Number
    0032
    Monoisotopic Mass
    116.065972g/mol
    NSC Number
    59723
    Odor
    Strong offensive odor.
    Other Experimental
    The rate constant(k1) for the reaction of singlet oxygen with cyclohexanethiol is 1.3X10+7 /M sec.
    Refractive Index
    MAX ABSORPTION (CYCLOHEXANE): 230 NM (LOG E= 2.14); INDEX OF REFRACTION: 1.4921 AT 20 °C/D; SADTLER REFERENCE NUMBER: 19137 (IR, PRISM); 5009 (NMR)
    Rotatable Bond Count
    0
    RTECS Number
    GV7525000
    UNII
    N8HOD9900V
    UN Number
    3054;3054;3054;3054;3054
    Vapor Density
    4.00 (AIR= 1);Relative vapor density (air = 1): 4.0
    Vapor Pressure
    10 mm Hg (NIOSH, 2016);3.96 mmHg;Vapor pressure, kPa at 20 °C: 1.3;10 mmHg
    XLogP3
    2.7
    MSDS
    Download MSDS
    COA
    Download COA
    Spec Sheet
    Download Spec Sheet
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