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  • 2,6-Di-tert-butylphenol

    • 2,6-Di-tert-butylphenol

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    Catalog Number
    ACM128392
    Product Name
    2,6-Di-tert-butylphenol
    Structure
    CAS
    128-39-2
    Category
    Plastic Additives
    Synonyms
    2,6-Di-t-butylphenol
    Description
    26-Di-tert-butylphenol is an organic compound with the structural formula 2,6-((CH3)3C)2C6H3OH. This colorless solid alkylated phenol and its derivatives are used industrially as UV stabilizers and Antioxidants for hydrocarbon-based products ranging from petrochemicals to plastics. Illustrative of its usefulness, it prevents gumming in aviation fuels.
    IUPAC Name
    2,6-ditert-butylphenol
    Molecular Weight
    206.32
    Molecular Formula
    C14H22O
    Canonical SMILES
    CC(C)(C)C1=C(C(=CC=C1)C(C)(C)C)O
    InChI
    InChI=1S/C14H22O/c1-13(2,3)10-8-7-9-11(12(10)15)14(4,5)6/h7-9,15H,1-6H3
    InChI Key
    DKCPKDPYUFEZCP-UHFFFAOYSA-N
    Boiling Point
    487 °F at 760 mm Hg (USCG, 1999);253.0 °C;253 °C;253 °C
    Melting Point
    35-38ºC
    Flash Point
    118ºC
    Density
    0.91
    Solubility
    1.21e-05 M;2.5 mg/l @ 25 °C;Soluble in alcohol and benzene, insoluble in water;Insoluble in water and alkali, soluble in acetone, benzene, carbontetrachloride, ethyl alcohol, diethyl ether, and hydrocarbons.;Solubility in water, g/100ml at 25 °C: 0.04 (very poor)
    Appearance
    Clear to pale yellow semi soild
    Color/Form
    Light straw, crystalline solid;Colorless solid
    Complexity
    184
    Covalently-Bonded Unit Count
    1
    Defined Atom Stereocenter Count
    0
    EC Number
    204-884-0
    Exact Mass
    206.1670
    Formal Charge
    0
    Hazard Class
    9
    Heavy Atom Count
    15
    Hydrogen Bond Acceptor Count
    1
    Hydrogen Bond Donor Count
    1
    ICSC Number
    1611
    Isotope Atom Count
    0
    Log P
    3.98720
    MDL Number
    MFCD00008820
    MeSH Entry Terms
    2,6-bis(tert-butyl)phenol;2,6-di-t-butylphenol;2,6-di-tert-butylphenol;2,6-di-tert-butylphenol, potassium salt;2,6-di-tert-butylphenol, sodium salt
    Monoisotopic Mass
    206.1670
    NSC Number
    49175
    Other Experimental
    Flash point = 118 °C
    Refractive Index
    1.5312
    Rotatable Bond Count
    2
    RTECS Number
    SK8265000
    Stability
    Stable. Incompatible with acid chlorides, acid anhydrides, bases, brass, copper, copper alloys, oxidizing agents.
    Storage Conditions
    Store in a cool, dry, well-ventilated area away from incompatible substances. Keep containers tightly closed.
    Topological Polar Surface Area
    20.2 Ų
    UNII
    21294V58PF
    UN Number
    2430;3077
    Vapor Pressure
    <0.01 mm Hg ( 20 °C)
    WGK Germany
    2
    XLogP3
    4.9
    MSDS
    Download MSDS
    COA
    Download COA
    Spec Sheet
    Download Spec Sheet
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