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  • (S)-2-Octyl 4-[4-(Hexyloxy)benzoyloxy]benzoate

    • (S)-2-Octyl 4-[4-(Hexyloxy)benzoyloxy]benzoate

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    Catalog Number
    ACM87321208
    CAS Number
    87321-20-8
    Product Name
    (S)-2-Octyl 4-[4-(Hexyloxy)benzoyloxy]benzoate
    Structure
    Category
    Liquid Crystal (LC) Materials
    Synonyms
    4-[4-(Hexyloxy)benzoyloxy]benzoic Acid (S)-2-Octyl Ester
    IUPAC Name
    [4-[(2S)-octan-2-yl]oxycarbonylphenyl] 4-hexoxybenzoate
    Molecular Weight
    454.61
    Molecular Formula
    C28H38O5
    Canonical SMILES
    CCCCCCC(C)OC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OCCCCCC
    InChI
    InChI=1S/C28H38O5/c1-4-6-8-10-12-22(3)32-27(29)23-15-19-26(20-16-23)33-28(30)24-13-17-25(18-14-24)31-21-11-9-7-5-2/h13-20,22H,4-12,21H2,1-3H3/t22-/m0/s1
    InChI Key
    PLGPDUBTEHIWRH-QFIPXVFZSA-N
    Boiling Point
    565.8 °C / 760 mmHg
    Melting Point
    49 °C
    Purity
    >98.0%(GC)
    Appearance
    White to Almost white powder to crystal
    Storage
    Sealed in dry. Room temperature.
    Complexity
    532
    Covalently-Bonded Unit Count
    1
    Exact Mass
    454.271924g/mol
    Formal Charge
    0
    Hazard Statements
    H413 : May cause long lasting harmful effects to aquatic life.
    Heavy Atom Count
    33
    MDL Number
    MFCD01941070
    Monoisotopic Mass
    454.271924g/mol
    Precautionary Statements
    P501 : Dispose of contents/ container to an approved waste disposal plant.P273 : Avoid release to the environment.
    Rotatable Bond Count
    17
    Signal Word
    Warning
    XLogP3
    8.8
    MSDS
    Download MSDS
    COA
    Download COA
    Spec Sheet
    Download Spec Sheet
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