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    Octyl Gallate

    ACTIVE PHARMA INGREDIENTS

    REF. STANDARDS & IMPURITIES

    PharmaCompass
    $ API Ref.Price (USD/KG) : 50Xls

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    2D Structure
    Also known as: 1034-01-1, Octyl 3,4,5-trihydroxybenzoate, N-octyl gallate, Progallin o, Stabilizer ga 8, N-octylgallate
    Molecular Formula
    C15H22O5
    Molecular Weight
    282.33  g/mol
    InChI Key
    NRPKURNSADTHLJ-UHFFFAOYSA-N
    FDA UNII
    079IIA2811
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    octyl 3,4,5-trihydroxybenzoate
    2.1.2 InChI
    InChI=1S/C15H22O5/c1-2-3-4-5-6-7-8-20-15(19)11-9-12(16)14(18)13(17)10-11/h9-10,16-18H,2-8H2,1H3
    2.1.3 InChI Key
    NRPKURNSADTHLJ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCCCCCCCOC(=O)C1=CC(=C(C(=C1)O)O)O
    2.2 Other Identifiers
    2.2.1 UNII
    079IIA2811
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 3,4,5-trihydroxybenzoic Acid Octyl Ester

    2. Octyl Gallate Dihydrate

    2.3.2 Depositor-Supplied Synonyms

    1. 1034-01-1

    2. Octyl 3,4,5-trihydroxybenzoate

    3. N-octyl Gallate

    4. Progallin O

    5. Stabilizer Ga 8

    6. N-octylgallate

    7. Gallic Acid, Octyl Ester

    8. Gallic Acid N-octyl Ester

    9. Benzoic Acid, 3,4,5-trihydroxy-, Octyl Ester

    10. Gallic Acid Octyl Ester

    11. Oktylester Kyseliny Gallove

    12. Ga 8 (van)

    13. N-octyl Ester Of 3,4,5-trihydroxybenzoic Acid

    14. Nsc 97419

    15. Gallic Acid-octyl Ester

    16. E311

    17. Chembl277346

    18. Ga 8

    19. Chebi:83631

    20. Nsc-97419

    21. 079iia2811

    22. Oktylester Kyseliny Gallove [czech]

    23. Einecs 213-853-0

    24. Brn 2132305

    25. Unii-079iia2811

    26. Gallic Acid Octyl

    27. Stabilizer Ga-8

    28. Gallic Acid N-octyl-ester

    29. Dsstox_cid_20713

    30. Dsstox_rid_79561

    31. Dsstox_gsid_40713

    32. Schembl36234

    33. 4-10-00-02005 (beilstein Handbook Reference)

    34. Bidd:er0271

    35. Wln: Qr Bq Cq Evo8

    36. Octil Gallate [mart.]

    37. Ins No.311

    38. Ppc-17

    39. Octyl Gallate [who-dd]

    40. Dtxsid4040713

    41. Ins-311

    42. Octyl Gallate (e 311)

    43. Octyl Ester Of Gallic Acid

    44. Octyl 3,4,5-trihydroxybenzoate #

    45. Bcp15873

    46. Hy-n2011

    47. Nsc97419

    48. Zinc1632635

    49. Tox21_300272

    50. Bdbm50240376

    51. Mfcd00002197

    52. Octyl Gallate [ep Monograph]

    53. Akos009031297

    54. Ccg-267265

    55. Ncgc00164126-01

    56. Ncgc00164126-02

    57. Ncgc00164126-03

    58. Ncgc00254030-01

    59. Ac-20128

    60. Ac-34483

    61. As-10960

    62. Cas-1034-01-1

    63. 3,4,5-trihydroxy-benzoic Acid Octyl Ester

    64. Benzoic Acid,4,5-trihydroxy-, Octyl Ester

    65. Db-110046

    66. Octyl Gallate, Analytical Reference Material

    67. Cs-0018331

    68. E-311

    69. Ft-0626598

    70. G0206

    71. N-octyl Ester Of 3,5-trihydroxybenzoic Acid

    72. S9338

    73. Octyl 3,4,5-trihydroxybenzoate;octyl Gallate

    74. Octyl Gallate, Antioxidant, >=99.0% (hplc)

    75. A800728

    76. J-000952

    77. Q2317929

    78. Octyl Gallate, European Pharmacopoeia (ep) Reference Standard

    79. 65d

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 282.33 g/mol
    Molecular Formula C15H22O5
    XLogP33.7
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count9
    Exact Mass282.14672380 g/mol
    Monoisotopic Mass282.14672380 g/mol
    Topological Polar Surface Area87 Ų
    Heavy Atom Count20
    Formal Charge0
    Complexity269
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Food Preservatives

    Substances capable of inhibiting, retarding or arresting the process of fermentation, acidification or other deterioration of foods. (See all compounds classified as Food Preservatives.)