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

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    Octanal

    APIs // Active Pharmaceutical Ingredients

    PRICE INFORMATION

    MARKET PLACE

    PharmaCompass

    Minakem offers CDMO services for API & HPAPI, generics, regulatory expertise, track record performance & FDA & GMP certifications.

    ChemWerth works in generic API development & supply, non-infringement patent strategy development and regulatory support.

    2D Structure
    Also known as: 124-13-0, Caprylaldehyde, Caprylic aldehyde, N-octanal, 1-octanal, N-octyl aldehyde
    Molecular Formula
    C8H16O
    Molecular Weight
    128.21  g/mol
    InChI Key
    NUJGJRNETVAIRJ-UHFFFAOYSA-N
    FDA UNII
    XGE9999H19
    Octanal is a metabolite found in or produced by Saccharomyces cerevisiae.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    octanal
    2.1.2 InChI
    InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h8H,2-7H2,1H3
    2.1.3 InChI Key
    NUJGJRNETVAIRJ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCCCCCCC=O
    2.2 Other Identifiers
    2.2.1 UNII
    XGE9999H19
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Caprylic Aldehyde

    2.3.2 Depositor-Supplied Synonyms

    1. 124-13-0

    2. Caprylaldehyde

    3. Caprylic Aldehyde

    4. N-octanal

    5. 1-octanal

    6. N-octyl Aldehyde

    7. N-octaldehyde

    8. N-caprylaldehyde

    9. Octanaldehyde

    10. Octyl Aldehyde

    11. N-octylal

    12. Aldehyde C-8

    13. Octanoic Aldehyde

    14. Octylaldehyde

    15. C-8 Aldehyde

    16. Octaldehyde

    17. 1-octylaldehyde

    18. 1-octaldehyde

    19. 1-caprylaldehyde

    20. Aldehyde C8

    21. N-octanaldehyde

    22. Antifoam-lf

    23. Oktylaldehyd

    24. Oktanal

    25. Octanal, Tech.

    26. Caprylaldehyd

    27. Fema No. 2797

    28. Kaprylaldehyd

    29. Octylaldehyd

    30. Nsc 1508

    31. Aldehido C-8

    32. Chembl18407

    33. Chebi:17935

    34. Nsc1508

    35. Xge9999h19

    36. Nsc-1508

    37. Nsc-8969

    38. Dsstox_cid_1643

    39. Wln: Vh7

    40. Dsstox_rid_76257

    41. Dsstox_gsid_21643

    42. Octanal (natural)

    43. Albumin Tannate

    44. Octyl Aldehydes

    45. Cas-124-13-0

    46. Hsdb 5147

    47. Einecs 204-683-8

    48. Mfcd00007029

    49. Brn 1744086

    50. N-octylaldehyde

    51. Capryl Aldehyde

    52. Unii-xge9999h19

    53. Ai3-03961

    54. N -octanal

    55. Octan-1-one

    56. Octan-8-one

    57. Oya

    58. Octanal, 99%

    59. Octanal [fcc]

    60. N-octanal [fhfi]

    61. Bmse000851

    62. Ec 204-683-8

    63. Octanal, Analytical Standard

    64. Octylaldehyde [hsdb]

    65. Schembl28601

    66. 4-01-00-03337 (beilstein Handbook Reference)

    67. Caprylic Aldehyde [mi]

    68. Qspl 183

    69. Dtxsid3021643

    70. Octanal (aldehyde C-8)

    71. Nsc8969

    72. Octanal, >=95%, Fcc, Fg

    73. Hy-n8015

    74. Str04459

    75. Zinc1529222

    76. Tox21_201415

    77. Tox21_300337

    78. Bdbm50028817

    79. Lmfa06000028

    80. Akos009031567

    81. Octanal, Natural, >=95%, Fcc, Fg

    82. Ncgc00247997-01

    83. Ncgc00247997-02

    84. Ncgc00254427-01

    85. Ncgc00258966-01

    86. Cs-0138976

    87. Ft-0626917

    88. Ft-0631629

    89. Ft-0631722

    90. Ft-0673199

    91. O0044

    92. En300-19768

    93. C01545

    94. Q416673

    95. J-660019

    96. Q-200605

    97. 27457-18-7

    2.4 Create Date
    2004-09-16
    3 Chemical and Physical Properties
    Molecular Weight 128.21 g/mol
    Molecular Formula C8H16O
    XLogP32.7
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count6
    Exact Mass128.120115130 g/mol
    Monoisotopic Mass128.120115130 g/mol
    Topological Polar Surface Area17.1 Ų
    Heavy Atom Count9
    Formal Charge0
    Complexity59.6
    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 ATC Code

    A - Alimentary tract and metabolism

    A07 - Antidiarrheals, intestinal antiinflammatory/antiinfective agents

    A07X - Other antidiarrheals

    A07XA - Other antidiarrheals

    A07XA01 - Albumin tannate

    4.2 Absorption, Distribution and Excretion

    Rats were nose exposed to an atmosphere containing 11.4 ppm of (11)C-octanal for 2 min. Inhaled octanal was absorbed from the lungs in a biphasic manner and the greatest concentration of octanal occurred in most tissues at 5 min. Tissue activities calculated on the basis of the administered dose and on the radiolabel retained until the animal was killed indicated a redistribution of the radiolabel as metabolic products after 20 min. The labeled carbon was eliminated in a biphasic manner as (11)CO2, which accounted for essentially all of the activity lost by the exposed rats.

    PMID:6114832 Kutzman RS et al; Drug Metab Dispos 9 (4): 331-3 (1981)

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