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    Chemistry

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    Also known as: 538-93-2, Benzene, (2-methylpropyl)-, (2-methylpropyl)benzene, 2-methyl-1-phenylpropane, 2-methylpropylbenzene, Benzene, isobutyl-
    Molecular Formula
    C10H14
    Molecular Weight
    134.22  g/mol
    InChI Key
    KXUHSQYYJYAXGZ-UHFFFAOYSA-N
    FDA UNII
    FI94T26KGB
    Iso Butyl Benzene
    isobutylbenzene is a natural product found in Vaccinium virgatum, Cryptoporus volvatus, and other organisms with data available.
    1 2D Structure

    Iso Butyl Benzene

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-methylpropylbenzene
    2.1.2 InChI
    InChI=1S/C10H14/c1-9(2)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
    2.1.3 InChI Key
    KXUHSQYYJYAXGZ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)CC1=CC=CC=C1
    2.2 Other Identifiers
    2.2.1 UNII
    FI94T26KGB
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 538-93-2

    2. Benzene, (2-methylpropyl)-

    3. (2-methylpropyl)benzene

    4. 2-methyl-1-phenylpropane

    5. 2-methylpropylbenzene

    6. Benzene, Isobutyl-

    7. 1-phenyl-2-methylpropane

    8. Iso-butylbenzene

    9. 1-phenylisobutane

    10. 2-phenyl-2-methylpropane

    11. 1-isobutylbenzene

    12. Fi94t26kgb

    13. Chembl195882

    14. Chebi:43261

    15. Nsc-24848

    16. Dsstox_cid_7181

    17. Dsstox_rid_78337

    18. Dsstox_gsid_27181

    19. Cas-538-93-2

    20. Einecs 208-706-2

    21. Nsc 24848

    22. Unii-fi94t26kgb

    23. Brn 1852218

    24. I-butylbenzene

    25. Isobutyl Benzene

    26. Isobutylbenzene, 99%

    27. 2-methyl-propyl-benzene

    28. Isobutylbenzene [mi]

    29. (2-methyl-1-propyl)benzene

    30. 4-05-00-01042 (beilstein Handbook Reference)

    31. I4b

    32. Dtxsid6027181

    33. Wln: 1y1&1r

    34. 184l

    35. Amy22254

    36. Isobutylbenzene, Analytical Standard

    37. Nsc24848

    38. Zinc1615327

    39. Tox21_201991

    40. Tox21_303054

    41. Bdbm50167954

    42. Mfcd00008936

    43. Akos000120611

    44. Ncgc00249144-01

    45. Ncgc00257100-01

    46. Ncgc00259540-01

    47. 28729-54-6

    48. Ls-13809

    49. Db-052420

    50. Ft-0627351

    51. I0097

    52. Q16912105

    2.4 Create Date
    2004-09-16
    3 Chemical and Physical Properties
    Molecular Weight 134.22 g/mol
    Molecular Formula C10H14
    XLogP33.9
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count0
    Rotatable Bond Count2
    Exact Mass134.109550447 g/mol
    Monoisotopic Mass134.109550447 g/mol
    Topological Polar Surface Area0 Ų
    Heavy Atom Count10
    Formal Charge0
    Complexity78
    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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    12-Jan-2021
    25-Sep-2024
    KGS
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    Average Price (USD/KGS)

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

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