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  • Allyl cyclohexylpropionate

  • Allyl cyclohexylpropionate

    Catalog Number
    ACM2705875
    CAS Number
    2705-87-5
    Product Name
    Allyl cyclohexylpropionate
    Structure
    Category
    Monomers
    Description
    Liquid;Colourless liquid with a pineapple odour
    IUPAC Name
    prop-2-enyl 3-cyclohexylpropanoate
    Molecular Weight
    196.29g/mol
    Molecular Formula
    C12H20O2
    Canonical SMILES
    C=CCOC(=O)CCC1CCCCC1
    InChI
    InChI=1S/C12H20O2/c1-2-10-14-12(13)9-8-11-6-4-3-5-7-11/h2,11H,1,3-10H2
    InChI Key
    TWXUTZNBHUWMKJ-UHFFFAOYSA-N
    Purity
    98%
    Density
    d2525 0.95;0.945-0.950
    Solubility
    Soluble in ether, higher oils and fatty oils. Insoluble in glycerine and water;1ml in 4ml 80% ethanol (in ethanol)
    Application
    Allyl cyclohexylpropionate is a versatile, colorless liquid known for its pineapple aroma. It serves multiple purposes, primarily as a flavoring agent and adjuvant in various food products, perfumes, and environmentally friendly paint thinners. Its ability to blend seamlessly with alcohol, essential oils, perfumes, and flavor chemicals makes it an ideal choice for creating complex scents and flavors. In the realm of fragrances, it's often utilized as a topnote and as a modifier for existing materials, such as allyl caproate and linalyl acetate. In flavors, it plays a crucial role as a chief carrier of fruity notes in imitation pineapple and as a modifier in imitation strawberry and raspberry flavors. Its influence is especially notable in the popular "tutti-frutti" flavor. While its concentration in perfumes typically remains below 1% of the composition, it is used in flavors at concentrations ranging from 10 to 40 ppm, depending on the product, and may be higher in items like chewing gum and certain candies. Its reported uses vary across different food categories, such as alcoholic beverages, baked goods, frozen dairy, and soft candy, offering a wide range of potential applications.
    Complexity
    181
    Covalently-Bonded Unit Count
    1
    EC Number
    220-292-5
    Exact Mass
    196.14633g/mol
    Formal Charge
    0
    Heavy Atom Count
    14
    Monoisotopic Mass
    196.14633g/mol
    Refractive Index
    n20D 1.4600;1.457-1.462
    Rotatable Bond Count
    6
    UNII
    H4W9H3L241
    XLogP3
    3.8
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