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  • tert-Octanethiol

    • tert-Octanethiol

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    Catalog Number
    ACM141593
    CAS Number
    141-59-3
    Product Name
    tert-Octanethiol
    Structure
    Category
    Self Assembly and Contact Printing Materials
    Description
    COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.
    IUPAC Name
    2,4,4-trimethylpentane-2-thiol
    Molecular Weight
    146.3g/mol
    Molecular Formula
    C8H18S;(CH3)2CSHCH2C(CH3)3;C8H18S
    Canonical SMILES
    CC(C)(C)CC(C)(C)S
    InChI
    InChI=1S/C8H18S/c1-7(2,3)6-8(4,5)9/h9H,6H2,1-5H3
    InChI Key
    QZLAEIZEPJAELS-UHFFFAOYSA-N
    Boiling Point
    160.0 °C;154-166 °C;155 °C
    Melting Point
    -74.0 °C;-74 °C
    Flash Point
    115 °F (46 °C) (Open cup);46 °C o.c.
    Density
    0.848 at 15.5 °C;Relative density (water = 1): 0.85
    Solubility
    In water, 31 mg/L at 25 °C (est);Solubility in water: none
    Color/Form
    Colorless liquid
    Complexity
    87.2
    Covalently-Bonded Unit Count
    1
    EC Number
    205-490-1
    Exact Mass
    146.112922g/mol
    Formal Charge
    0
    Heavy Atom Count
    9
    ICSC Number
    1494
    Log P
    log Kow = 4.0 (est)
    Monoisotopic Mass
    146.112922g/mol
    Other Experimental
    Liquid molar volume = 0.173885 cu m/kmol;Henry's Law constant = 1.9X10-2 atm-cu m/mol at 25 °C (est);Hydroxyl radical reaction rate constant = 3.5X10-11 cu cm/molec-sec at 25 °C (est)
    Refractive Index
    Index of refraction = 1.454 at 20 °C/D
    Rotatable Bond Count
    2
    RTECS Number
    SA3260000
    UNII
    K908VW4U2S
    UN Number
    2929;3023
    Vapor Density
    5.0 (Air = 1);Relative vapor density (air = 1): 5.0
    Vapor Pressure
    5.20 mmHg;5.20 mm Hg at 25 °C /Extrapolated/
    XLogP3
    3.2
    MSDS
    Download MSDS
    COA
    Download COA
    Spec Sheet
    Download Spec Sheet
    If you have any other questions or need other size, please get a quote.
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