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  • 4-(1,1,3,3-Tetramethylbutyl)phenol

    • 4-(1,1,3,3-Tetramethylbutyl)phenol

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    Catalog Number
    ACM140669-1
    CAS Number
    140-66-9
    Product Name
    4-(1,1,3,3-Tetramethylbutyl)phenol
    Structure
    Category
    Pressure & Heat Sensitive Recording Materials; Heat & Pressure Sensitive Dyes
    Description
    Liquid; OtherSolid; PelletsLargeCrystals; PelletsLargeCrystals, Liquid;Solid
    IUPAC Name
    4-(2,4,4-trimethylpentan-2-yl)phenol
    Molecular Weight
    206.32g/mol
    Molecular Formula
    C14H22O
    Canonical SMILES
    CC(C)(C)CC(C)(C)C1=CC=C(C=C1)O
    InChI
    InChI=1S/C14H22O/c1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11/h6-9,15H,10H2,1-5H3
    InChI Key
    ISAVYTVYFVQUDY-UHFFFAOYSA-N
    Boiling Point
    279 °C
    Melting Point
    84.5 °C;85 °C;84.5°C
    Solubility
    In water, 5.113 mg/L at 25 °C (est)
    Color/Form
    White solid
    Complexity
    192
    Covalently-Bonded Unit Count
    1
    EC Number
    205-426-2
    Exact Mass
    206.167065g/mol
    Formal Charge
    0
    Heavy Atom Count
    15
    Log P
    log Kow = 5.25 (est)
    MeSH Entry Terms
    4-tert-octylphenol;4-tertiary-octylphenol;p-(1,1,3,3-tetramethylbutyl)-phenol;p-tert-octylphenol
    Monoisotopic Mass
    206.167065g/mol
    NSC Number
    7248;5427
    Other Experimental
    Density: 0.89 g/mL at 90 °C;Liquid Molar Volume = 0.2232 cu m/kmol, determined at the triple point;Henry's Law constant = 6.89X10-6 atm-cu m/mol at 25 °C (est);Hydroxy radical rate constant = 4.24X10-11 cu cm/molec-sec at 25 °C (est)
    Rotatable Bond Count
    3
    Stability
    Stable under recommended storage conditions.
    UNII
    IOY9FVU3J3
    Vapor Pressure
    4.78e-04 mmHg;4.7X10-3 kPa at 74 °C /4.8X10-4 mm Hg at 25 °C/
    XLogP3
    5
    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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