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    Methyl Stearate

    ACTIVE PHARMA INGREDIENTS

    REF. STANDARDS & IMPURITIES

    PharmaCompass
    $ API Ref.Price (USD/KG) : 693,330Xls

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    2D Structure
    Also known as: Methyl octadecanoate, 112-61-8, Octadecanoic acid, methyl ester, Stearic acid methyl ester, Stearic acid, methyl ester, Metholene 2218
    Molecular Formula
    C19H38O2
    Molecular Weight
    298.5  g/mol
    InChI Key
    HPEUJPJOZXNMSJ-UHFFFAOYSA-N
    FDA UNII
    8D4NXF3ZH7
    methyl stearate is a natural product found in Cinnamomum kotoense, Hedysarum polybotrys, and other organisms with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    methyl octadecanoate
    2.1.2 InChI
    InChI=1S/C19H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h3-18H2,1-2H3
    2.1.3 InChI Key
    HPEUJPJOZXNMSJ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCCCCCCCCCCCCCCCCC(=O)OC
    2.2 Other Identifiers
    2.2.1 UNII
    8D4NXF3ZH7
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Methyl Octadecanoate

    2. 112-61-8

    3. Octadecanoic Acid, Methyl Ester

    4. Stearic Acid Methyl Ester

    5. Stearic Acid, Methyl Ester

    6. Metholene 2218

    7. Kemester 9718

    8. Methyl N-octadecanoate

    9. Kemester 9018

    10. Emery 2218

    11. N-octadecanoic Acid Methyl Ester

    12. Methyl Stearate-1-13c

    13. Methylstearate

    14. Nsc 9418

    15. Octadecanoic Acid,methyl Ester

    16. Kemester 4516

    17. Mfcd00009005

    18. 8d4nxf3zh7

    19. Methyl Ester Of Octadecanoic Acid

    20. N-octadecanoic Acid, Methyl Ester

    21. Nsc-9418

    22. We(1:0/18:0)

    23. Hsdb 2901

    24. Einecs 203-990-4

    25. Unii-8d4nxf3zh7

    26. Brn 1786213

    27. Ai3-07960

    28. Ec 203-990-4

    29. Methyl Stearate-[13c18]

    30. Schembl39262

    31. Methyl Stearate [ii]

    32. 4-02-00-01216 (beilstein Handbook Reference)

    33. Octadecanoic Acid Methyl Ester

    34. Octadecanoic Acid-methyl Ester

    35. Methyl Stearate [hsdb]

    36. Methyl Stearate [inci]

    37. Wln: 17vo1

    38. Dtxsid2047640

    39. Methyl Stearate, >=96%, Fg

    40. Methyl Stearate, ~99% (gc)

    41. Chebi:69188

    42. Methyl Stearate [usp-rs]

    43. Nsc9418

    44. Cs-d1357

    45. Hy-b1934

    46. Methyl Stearate, Analytical Standard

    47. Lmfa07010474

    48. S5756

    49. Stl281377

    50. Zinc67913216

    51. Akos015901560

    52. Stearic Acid Methyl Ester [mi]

    53. Ac-35013

    54. Bs-43767

    55. Sy027457

    56. Methyl Stearate [standard Material For Gc]

    57. Db-003728

    58. Octadecanoic Acid Methyl Ester (fame Mix)

    59. Ft-0628807

    60. Ft-0672122

    61. S0080

    62. S0312

    63. A894565

    64. 4-methoxy-benzenecarbodithioicacidmethylester

    65. J-010357

    66. W-108643

    67. Q27137527

    68. 6a62cf35-4d1c-47c0-8186-cab436c59c3f

    69. Methyl Stearate, Certified Reference Material, Tracecert(r)

    70. Octadecanoic Acid-methyl Ester 100 Microg/ml In Methanol

    71. Methyl Stearate, European Pharmacopoeia (ep) Reference Standard

    72. Methyl Stearate, United States Pharmacopeia (usp) Reference Standard

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 298.5 g/mol
    Molecular Formula C19H38O2
    XLogP39
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count17
    Exact Mass298.287180451 g/mol
    Monoisotopic Mass298.287180451 g/mol
    Topological Polar Surface Area26.3 Ų
    Heavy Atom Count21
    Formal Charge0
    Complexity214
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1