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    Technical details about Ethyl Vanillate, learn more about the structure, uses, toxicity, action, side effects and more

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    Ethyl Vanillate

    ACTIVE PHARMA INGREDIENTS

    PRICE INFORMATION

    PharmaCompass
    $ API Ref.Price (USD/KG) : 200Xls

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    2D Structure
    Also known as: 617-05-0, Ethyl 4-hydroxy-3-methoxybenzoate, 4-hydroxy-3-methoxybenzoic acid ethyl ester, Vanillic acid, ethyl ester, Benzoic acid, 4-hydroxy-3-methoxy-, ethyl ester, 3-methoxy-4-hydroxybenzoic acid, ethyl ester
    Molecular Formula
    C10H12O4
    Molecular Weight
    196.20  g/mol
    InChI Key
    MWAYRGBWOVHDDZ-UHFFFAOYSA-N
    FDA UNII
    V38JK4Z93O
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    ethyl 4-hydroxy-3-methoxybenzoate
    2.1.2 InChI
    InChI=1S/C10H12O4/c1-3-14-10(12)7-4-5-8(11)9(6-7)13-2/h4-6,11H,3H2,1-2H3
    2.1.3 InChI Key
    MWAYRGBWOVHDDZ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCOC(=O)C1=CC(=C(C=C1)O)OC
    2.2 Other Identifiers
    2.2.1 UNII
    V38JK4Z93O
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 617-05-0

    2. Ethyl 4-hydroxy-3-methoxybenzoate

    3. 4-hydroxy-3-methoxybenzoic Acid Ethyl Ester

    4. Vanillic Acid, Ethyl Ester

    5. Benzoic Acid, 4-hydroxy-3-methoxy-, Ethyl Ester

    6. 3-methoxy-4-hydroxybenzoic Acid, Ethyl Ester

    7. M-anisic Acid, 4-hydroxy-, Ethyl Ester

    8. V38jk4z93o

    9. Chembl4206971

    10. Nsc-8513

    11. Mfcd00017269

    12. Ethylvanillate

    13. Nsc 8513

    14. Einecs 210-503-9

    15. Vanilicacidethylester; 97%

    16. Brn 2100025

    17. Unii-v38jk4z93o

    18. Ethyl Vanilate

    19. Ai3-06151

    20. Ethyl 4-hydroxy-3-methoxy-benzoate

    21. Vanillic Acid Ethyl

    22. Vanilic Acid Ethyl Ester

    23. Caffeoyl Efhylesfer,(s)

    24. Vanillic Acid Ethyl Ester

    25. M-anisic Acid, Ethyl Ester

    26. Wln: 2ovr Dq Co1

    27. 3-10-00-01413 (beilstein Handbook Reference)

    28. Schembl155638

    29. Dtxsid2060670

    30. Ethyl 4-hydoxy-3-methoxybenzoate

    31. Nsc8513

    32. Chebi:181310

    33. Ethyl 3-methoxy-4-hydroxybenzoate

    34. Zinc394800

    35. Act08390

    36. Hy-b1643

    37. Bdbm50450894

    38. S3993

    39. Akos006227599

    40. Ccg-266551

    41. As-14750

    42. Ethyl-4-hydroxy-3-methoxybenzoate

    43. Sy015808

    44. Cs-0013594

    45. Ft-0618640

    46. V0051

    47. Ethyl Vanillate, Analytical Reference Material

    48. F14083

    49. W-105106

    50. Q27291476

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 196.20 g/mol
    Molecular Formula C10H12O4
    XLogP32.1
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count4
    Exact Mass196.07355886 g/mol
    Monoisotopic Mass196.07355886 g/mol
    Topological Polar Surface Area55.8 Ų
    Heavy Atom Count14
    Formal Charge0
    Complexity193
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1