loader
Please Wait
Applying Filters...

Renejix CDMO Partner for Small Molecule Oral Dosage Forms Renejix CDMO Partner for Small Molecule Oral Dosage Forms

X
menu

    Market Place

    Market Place

    Post Enquiry

    Post Enquiry
    menu

    Technical details about CAS 97-62-1, learn more about the structure, uses, toxicity, action, side effects and more

    Client Email Product
    Menu

    CAS 97-62-1

    Manufacturers/Suppliers

    PharmaCompass

    Biophore is a research-driven global pharmaceutical company focused on niche APIs for the generic industry.

    Athena Pharmaceutiques is a Partner of Choice for Drug Delivery & Life Cycle Management.

    2D Structure
    1. Also known as: 97-62-1, Ethyl 2-methylpropanoate, Isobutyric acid ethyl ester, Ethylisobutyrate, Ethyl isobutanoate, Propanoic acid, 2-methyl-, ethyl ester
    Molecular Formula
    C6H12O2
    Molecular Weight
    116.16  g/mol
    InChI Key
    WDAXFOBOLVPGLV-UHFFFAOYSA-N
    FDA UNII
    9A9661LN4H
    ethyl isobutyrate is a natural product found in Streptomyces, Humulus lupulus, and other organisms with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    ethyl 2-methylpropanoate
    2.1.2 InChI
    InChI=1S/C6H12O2/c1-4-8-6(7)5(2)3/h5H,4H2,1-3H3
    2.1.3 InChI Key
    WDAXFOBOLVPGLV-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCOC(=O)C(C)C
    2.2 Other Identifiers
    2.2.1 UNII
    9A9661LN4H
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Ethyl 2-methylpropanoate

    2.3.2 Depositor-Supplied Synonyms

    1. 97-62-1

    2. Ethyl 2-methylpropanoate

    3. Isobutyric Acid Ethyl Ester

    4. Ethylisobutyrate

    5. Ethyl Isobutanoate

    6. Propanoic Acid, 2-methyl-, Ethyl Ester

    7. Ethyl 2,2-dimethylacetate

    8. Isobutyric Acid, Ethyl Ester

    9. Ethyl 2-methylpropionate

    10. Fema No. 2428

    11. Propionic Acid, 2-methyl-, Ethyl Ester

    12. Ethyl Iso-butyrate

    13. Nsc 97194

    14. Ethyl 2-methyl-propionyl

    15. Chebi:87303

    16. 9a9661ln4h

    17. 2-methyl-propanoic Acid Ethyl Ester

    18. Nsc-97194

    19. Ethyl Ester Of 2-methyl-propanoic Acid

    20. We(2:0/3:0(2me))

    21. Ethyl Isobutyrate (natural)

    22. Einecs 202-595-4

    23. Un2385

    24. Brn 0773846

    25. Unii-9a9661ln4h

    26. Ai3-06121

    27. 2-methylpropanoic Acid Ethyl Ester

    28. 2-methyl-propionic Acid Ethyl Ester

    29. Ethylmethylpropanoate

    30. Ethyl Methylpropanoate

    31. Isobutyric Acid Ethyl

    32. Nat.ethyl Isobutyrate

    33. Ethyl-2-methylproanoate

    34. Ethyl Isobutyrate, 99%

    35. Isobutanoic Acid Ethyl Ester

    36. Schembl80284

    37. Ethyl Isobutyrate [mi]

    38. Chembl295870

    39. Ethyl 2-methylpropanoate, 9ci

    40. Wln: 2ovy1&1

    41. Ethyl Isobutyrate [fcc]

    42. Natural Ethyl Isobutyrate

    43. Dtxsid7047728

    44. Ethyl Isobutyrate [fhfi]

    45. Fema 2428

    46. Zinc391109

    47. 2-methylpropanoic Acid, Ethyl Ester

    48. Nsc97194

    49. Iso Butyric Acid Ethyl Ester

    50. Lmfa07010503

    51. Mfcd00009165

    52. Ethyl Isobutyrate, Analytical Standard

    53. Akos008948132

    54. Un 2385

    55. Ethyl Isobutyrate, >=98%, Fcc, Fg

    56. Bs-24579

    57. Ft-0625782

    58. I0105

    59. Ethyl Isobutyrate, Natural, >=98%, Fcc, Fg

    60. Ethyl Isobutyrate [un2385] [flammable Liquid]

    61. Q-201085

    62. Q27159510

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 116.16 g/mol
    Molecular Formula C6H12O2
    XLogP31.5
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count3
    Exact Mass116.083729621 g/mol
    Monoisotopic Mass116.083729621 g/mol
    Topological Polar Surface Area26.3 Ų
    Heavy Atom Count8
    Formal Charge0
    Complexity76.6
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    Post Enquiry
    POST ENQUIRY