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    Diisopropyl Adipate

    ACTIVE PHARMA INGREDIENTS

    DIGITAL CONTENT

    PharmaCompass
    $ API Ref.Price (USD/KG) : 30Xls

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    2D Structure
    Also known as: 6938-94-9, Adipic acid diisopropyl ester, Isopropyl adipate, Adipic acid, diisopropyl ester, Dipropan-2-yl hexanedioate, Prodipate
    Molecular Formula
    C12H22O4
    Molecular Weight
    230.30  g/mol
    InChI Key
    ZDQWESQEGGJUCH-UHFFFAOYSA-N
    FDA UNII
    P7E6YFV72X
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    dipropan-2-yl hexanedioate
    2.1.2 InChI
    InChI=1S/C12H22O4/c1-9(2)15-11(13)7-5-6-8-12(14)16-10(3)4/h9-10H,5-8H2,1-4H3
    2.1.3 InChI Key
    ZDQWESQEGGJUCH-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)OC(=O)CCCCC(=O)OC(C)C
    2.2 Other Identifiers
    2.2.1 UNII
    P7E6YFV72X
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Adipic Acid Diisopropyl Ester

    2.3.2 Depositor-Supplied Synonyms

    1. 6938-94-9

    2. Adipic Acid Diisopropyl Ester

    3. Isopropyl Adipate

    4. Adipic Acid, Diisopropyl Ester

    5. Dipropan-2-yl Hexanedioate

    6. Prodipate

    7. Ceraphyl 230

    8. Crodamol Da

    9. Standamul Dipa

    10. Hexanedioic Acid, Bis(1-methylethyl) Ester

    11. Wickenol 116

    12. Beta Dia

    13. Schercemol Dia

    14. Tegester 504-d

    15. Iso-adipate 2/043700

    16. 1,6-bis(propan-2-yl) Hexanedioate

    17. Nsc 56587

    18. Bis(1-methylethyl)hexanedioate

    19. Bis(1-methylethyl) Hexanedioate

    20. P7e6yfv72x

    21. Chebi:34711

    22. Hexanedioic Acid, 1,6-bis(1-methylethyl) Ester

    23. Nsc-56587

    24. Diisopropyl Adipat

    25. Einecs 230-072-0

    26. Unii-p7e6yfv72x

    27. Brn 1785346

    28. Diisopropyl Adipat [iupac]

    29. Ai3-06066

    30. Diisopropyl Ester

    31. Unimate Dipa

    32. .beta. Dia

    33. Di-isopropyl Adipate

    34. Mfcd00026391

    35. Di-iso-propyl Adipate

    36. Adipic Acid Diisopropyl

    37. Disopropyl Adipate

    38. Diisopropyl Hexanedioate #

    39. Dsstox_cid_7641

    40. Ec 230-072-0

    41. Dsstox_rid_78539

    42. Dsstox_gsid_27641

    43. Schembl15391

    44. Bidd:er0603

    45. Ceraphyl 230 [vandf]

    46. Chembl3184058

    47. Diisopropyl Adipate [ii]

    48. Dtxsid5027641

    49. Fema No. 4474

    50. Wln: 1y1&ov4voy1&1

    51. Diisopropyl Adipate [inci]

    52. Nsc56587

    53. Zinc1687490

    54. Tox21_200462

    55. Lmfa07010790

    56. Stl453777

    57. Akos015839638

    58. Ncgc00248634-01

    59. Ncgc00258016-01

    60. Bs-42287

    61. Cas-6938-94-9

    62. Hexanedioic Acid Bis-(1-methylethyl) Ester

    63. A0654

    64. Cs-0138054

    65. Ft-0624994

    66. E81725

    67. W-104631

    68. Q21705003

    69. Z1137991589

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 230.30 g/mol
    Molecular Formula C12H22O4
    XLogP32.2
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count9
    Exact Mass230.15180918 g/mol
    Monoisotopic Mass230.15180918 g/mol
    Topological Polar Surface Area52.6 Ų
    Heavy Atom Count16
    Formal Charge0
    Complexity197
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1