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  • 4-tert-Butylphenol

    • 4-tert-Butylphenol

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    Catalog Number
    ACM98544
    CAS Number
    98-54-4
    Product Name
    4-tert-Butylphenol
    Structure
    Category
    Pressure & Heat Sensitive Recording Materials
    Synonyms
    p-tert-Butylphenol;4-tert-Butylphenol;Phenol, 4-(1,1-dimethylethyl)-;
    Description
    4-tert-Butylphenol is a reactant in the preparation of (2-bromocyclopent-2-en-1-yl)phenols.
    IUPAC Name
    4-tert-butylphenol
    Molecular Weight
    150.22g/mol
    Molecular Formula
    C10H14O
    Canonical SMILES
    CC(C)(C)C1=CC=C(C=C1)O
    InChI
    InChI=1S/C10H14O/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7,11H,1-3H3
    InChI Key
    QHPQWRBYOIRBIT-UHFFFAOYSA-N
    Boiling Point
    463.1 °F at 760 mm Hg (NTP, 1992);237.0 °C;239 °C;237 °C;463.1°F
    Melting Point
    96-100ºC
    Flash Point
    113ºC
    Density
    0.908
    Solubility
    8.7 g/L (20 ºC)
    Appearance
    White crystalline powder and has a disinfectant-like odor
    Color/Form
    Needles from water;Needles from lignin;White crystals;Crystals, needles, or practically white flakes
    Complexity
    115
    Covalently-Bonded Unit Count
    1
    EC Number
    202-679-0
    Exact Mass
    150.104465g/mol
    Formal Charge
    0
    Hazard Class
    8
    Heat of Vaporization
    67.9 kJ/mol
    Heavy Atom Count
    11
    ICSC Number
    0637
    Log P
    2.68970
    MDL Number
    MFCD00002367
    MeSH Entry Terms
    4-(t-butyl)phenol;4-tert-butylphenol;4-tertiary-butylphenol;butylphen;p-tert-butylphenol;para-tertiary-butylphenol
    Monoisotopic Mass
    150.104465g/mol
    NSC Number
    3697
    Odor
    Distinctive odor
    Other Experimental
    Volatile with steam;Density: 0.908 g/cu cm at 80 °C;Vapor Pressure: 0.00375 mm Hg at 20 °C;Henry's Law constant = 1.19X10-6 atm-cu m/mole at 25 °C;Hydroxyl radical reaction rate constant = 4.1X10-11 cu-cm/molc sec at 25 °C (est)
    Refractive Index
    1.4787
    Rotatable Bond Count
    1
    RTECS Number
    SJ8925000
    Stability
    Stable. Incompatible with copper, steel, bases, acid chlorides, acid anhydrides, oxidizing agents.
    Storage Conditions
    Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Store protected from moisture.
    UNII
    O81VMW36CV
    UN Number
    2430;2430
    Vapor Density
    5.1 (NTP, 1992) (Relative to Air);5.1 (Air = 1);5.1
    Vapor Pressure
    1 mm Hg ( 70 °C)
    Viscosity
    2.4 mPa.s at 110 °C
    WGK Germany
    2
    XLogP3
    3.3
    MSDS
    Download MSDS
    COA
    Download COA
    Spec Sheet
    Download Spec Sheet
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