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    Chemistry

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    Also known as: 2-methylpropanal, 78-84-2, Isobutanal, Propanal, 2-methyl-, 2-methylpropionaldehyde, Isobutylaldehyde
    Molecular Formula
    C4H8O
    Molecular Weight
    72.11  g/mol
    InChI Key
    AMIMRNSIRUDHCM-UHFFFAOYSA-N
    FDA UNII
    C42E28168L
    Isobutyraldehyde
    isobutyraldehyde is a metabolite found in or produced by Saccharomyces cerevisiae.
    1 2D Structure

    Isobutyraldehyde

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-methylpropanal
    2.1.2 InChI
    InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3
    2.1.3 InChI Key
    AMIMRNSIRUDHCM-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)C=O
    2.2 Other Identifiers
    2.2.1 UNII
    C42E28168L
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 2-methylpropanal

    2. Isobutanal

    3. Isobutylaldehyde

    2.3.2 Depositor-Supplied Synonyms

    1. 2-methylpropanal

    2. 78-84-2

    3. Isobutanal

    4. Propanal, 2-methyl-

    5. 2-methylpropionaldehyde

    6. Isobutylaldehyde

    7. Isobutyric Aldehyde

    8. Valine Aldehyde

    9. Isopropylformaldehyde

    10. Isopropylaldehyde

    11. 2-methyl-1-propanal

    12. Isobutaldehyde

    13. Isobutyral

    14. Isobutyraldehyd

    15. Methylpropanal

    16. Methyl Propanal

    17. Isobutyryl Aldehyde

    18. Isopropyl Aldehyde

    19. Alpha-methylpropionaldehyde

    20. Isopropyl Formaldehyde

    21. Propionaldehyde, 2-methyl-

    22. Isobutyl Aldehyde

    23. Iso-butyraldehyde

    24. Fema No. 2220

    25. Nci-c60968

    26. Nsc 6739

    27. .alpha.-methylpropionaldehyde

    28. Iso-c3h7cho

    29. 2-methyl-propionaldehyde

    30. 2-methyl-propanal

    31. Chebi:48943

    32. Nsc-6739

    33. C42e28168l

    34. Isobutyraldehyde, 98%

    35. Isobutyraldehyd [czech]

    36. Isobutyraldehyde (natural)

    37. Isobutyl Aldehy De

    38. Butyric Iso Aldehyde

    39. Ccris 1101

    40. Hsdb 614

    41. Einecs 201-149-6

    42. Un2045

    43. Isobutyraldehye

    44. I-butyraldehyde

    45. Iso-butanal

    46. I-butanal

    47. 2-methypropanal

    48. Ai3-15311

    49. Unii-c42e28168l

    50. So-butyl Aldehyde

    51. Iso-butyl Aldehyde

    52. Mfcd00006980

    53. 2-methyl-propan-1-one

    54. Dsstox_cid_1635

    55. Isobutyraldehyde, >=99%

    56. Alpha -methylpropionaldehyde

    57. Ec 201-149-6

    58. Dsstox_rid_76249

    59. Isobutyraldehyde, Redistilled

    60. Dsstox_gsid_21635

    61. Isopropylcarboxaldehyde

    62. Isobutyraldehyde [mi]

    63. Isobutyraldehyde, Dry, 98%

    64. 2-methylpropanal (isobutanal)

    65. Isobutyraldehyde [fcc]

    66. Wln: Vhy1&1

    67. Isobutyraldehyde [fhfi]

    68. Isobutyraldehyde [hsdb]

    69. 2-methylpropanal [inci]

    70. Chembl1404017

    71. Dtxsid9021635

    72. Isobutyraldehyde, >=98%, Fg

    73. Fema 2220

    74. Isobutyraldehyde 2-methylpropanal

    75. Isobutyraldehyde [usp-rs]

    76. Isobutyraldehyde, >=98%, Fcc

    77. Nsc6739

    78. Zinc1866952

    79. Isobutyraldehyde Or Isobutyl Aldehyde

    80. Isobutyraldehyde, Analytical Standard

    81. Tox21_200024

    82. Bbl034648

    83. Stl264210

    84. Isobutyraldehyde, Natural, 96%, Fg

    85. Akos000119887

    86. Un 2045

    87. Cas-78-84-2

    88. Ncgc00091788-01

    89. Ncgc00091788-02

    90. Ncgc00257578-01

    91. Bp-20619

    92. Isobutyraldehyde, Redistilled, >=99.5%

    93. Ft-0627379

    94. I0101

    95. A839508

    96. Q418164

    97. F2190-0633

    98. Isobutyraldehyde Or Isobutyl Aldehyde [un2045] [flammable Liquid]

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 72.11 g/mol
    Molecular Formula C4H8O
    XLogP30.8
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count1
    Exact Mass72.057514874 g/mol
    Monoisotopic Mass72.057514874 g/mol
    Topological Polar Surface Area17.1 Ų
    Heavy Atom Count5
    Formal Charge0
    Complexity30.6
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

    API Reference Price

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    27-Jan-2021
    26-Oct-2024
    KGS
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    Average Price (USD/KGS)

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    Quantity (KGS) & Unit rate (USD/KGS) over time

    API Imports and Exports

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    (KGS)    		 Average Price
    (USD/KGS)    		 Number of Transactions

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