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    Amyl Salicylate

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    $ API Ref.Price (USD/KG) : 4Xls

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    2D Structure
    Also known as: Pentyl salicylate, Pentyl 2-hydroxybenzoate, 2050-08-0, Benzoic acid, 2-hydroxy-, pentyl ester, Salicylic acid, pentyl ester, 2-hydroxybenzoic acid, pentyl ester
    Molecular Formula
    C12H16O3
    Molecular Weight
    208.25  g/mol
    InChI Key
    RANVDUNFZBMTBK-UHFFFAOYSA-N
    FDA UNII
    VZO9C30208
    amyl salicylate is a natural product found in Vanilla planifolia with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    pentyl 2-hydroxybenzoate
    2.1.2 InChI
    InChI=1S/C12H16O3/c1-2-3-6-9-15-12(14)10-7-4-5-8-11(10)13/h4-5,7-8,13H,2-3,6,9H2,1H3
    2.1.3 InChI Key
    RANVDUNFZBMTBK-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCCCCOC(=O)C1=CC=CC=C1O
    2.2 Other Identifiers
    2.2.1 UNII
    VZO9C30208
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Pentyl Salicylate

    2.3.2 Depositor-Supplied Synonyms

    1. Pentyl Salicylate

    2. Pentyl 2-hydroxybenzoate

    3. 2050-08-0

    4. Benzoic Acid, 2-hydroxy-, Pentyl Ester

    5. Salicylic Acid, Pentyl Ester

    6. 2-hydroxybenzoic Acid, Pentyl Ester

    7. N-amyl Salicylate

    8. Amylester Kyseliny Salicylove

    9. Salicylic Acid, Amyl Ester

    10. Salicylic Acid-pentyl Ester

    11. Vzo9c30208

    12. Nsc-44877

    13. Nsc-46125

    14. Nsc-403668

    15. Wln: Qr Dvo5

    16. Caswell No. 049aa

    17. Einecs 218-080-2

    18. Nsc 44877

    19. Nsc 46125

    20. Amylester Kyseliny Salicylove [czech]

    21. Nsc 403668

    22. Amylsalicylat

    23. Brn 2577253

    24. Unii-vzo9c30208

    25. Ai3-00334

    26. Salicylic Acid Amyl

    27. Salicylic Acid Pentyl Ester

    28. Schembl88285

    29. Amyl Salicylate [inci]

    30. Dtxsid9029227

    31. Chebi:88386

    32. Amyl Salicylate [who-dd]

    33. Nsc44877

    34. Nsc46125

    35. Zinc1677092

    36. Amyl Salicylate, Analytical Standard

    37. Nsc403668

    38. Akos015890783

    39. 6-methoxy-6-oxo-5,5-diphenylhexanoic Acid

    40. Ft-0708371

    41. 050a080

    42. Q27160231

    43. Salicylic Acid-pentyl Ester 1000 Microg/ml In Acetonitrile

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 208.25 g/mol
    Molecular Formula C12H16O3
    XLogP35.2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count6
    Exact Mass208.109944368 g/mol
    Monoisotopic Mass208.109944368 g/mol
    Topological Polar Surface Area46.5 Ų
    Heavy Atom Count15
    Formal Charge0
    Complexity191
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1