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    CAS-99-93-4

    ACTIVE PHARMA INGREDIENTS

    MARKET PLACE

    PharmaCompass
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    2D Structure
    Also known as: 99-93-4, 4-hydroxyacetophenone, 1-(4-hydroxyphenyl)ethanone, P-hydroxyacetophenone, 4-acetylphenol, Piceol
    Molecular Formula
    C8H8O2
    Molecular Weight
    136.15  g/mol
    InChI Key
    TXFPEBPIARQUIG-UHFFFAOYSA-N
    FDA UNII
    G1L3HT4CMH
    hydroxyacetophenone is a natural product found in Ficus erecta var. beecheyana, Artemisia ordosica, and other organisms with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-(4-hydroxyphenyl)ethanone
    2.1.2 InChI
    InChI=1S/C8H8O2/c1-6(9)7-2-4-8(10)5-3-7/h2-5,10H,1H3
    2.1.3 InChI Key
    TXFPEBPIARQUIG-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(=O)C1=CC=C(C=C1)O
    2.2 Other Identifiers
    2.2.1 UNII
    G1L3HT4CMH
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 1-(4-hydroxyphenyl)ethanone

    2. 4-hydroxyacetophenone

    3. P-hydroxyacetophenone

    4. Para-hydroxyacetophenone

    5. Piceol

    2.3.2 Depositor-Supplied Synonyms

    1. 99-93-4

    2. 4-hydroxyacetophenone

    3. 1-(4-hydroxyphenyl)ethanone

    4. P-hydroxyacetophenone

    5. 4-acetylphenol

    6. Piceol

    7. Ethanone, 1-(4-hydroxyphenyl)-

    8. P-acetylphenol

    9. P-hydroxyphenyl Methyl Ketone

    10. Para-hydroxyacetophenone

    11. P-oxyacetophenone

    12. Methyl P-hydroxyphenyl Ketone

    13. 4-hydroxy Acetophenone

    14. Acetophenone, 4'-hydroxy-

    15. Phenol, P-acetyl-

    16. 1-(4-hydroxyphenyl)ethan-1-one

    17. (4-hydroxyphenyl)ethan-1-one

    18. Acetophenone, P-hydroxy-

    19. Usaf Kf-15

    20. 4-acetophenol

    21. Hydroxyacetophenone, Para

    22. 4-hydroksyacetofenol

    23. 4'-hydroxy Acetophenone

    24. 1-(4-hydroxy-phenyl)-ethanone

    25. Nsc 3698

    26. Mfcd00002359

    27. Paracetamol Impurity E

    28. G1l3ht4cmh

    29. 4-hydroxyphenyl Methyl Ketone

    30. Chembl201083

    31. Chebi:28032

    32. Nsc-3698

    33. C0694

    34. Dsstox_cid_9133

    35. Dsstox_rid_78678

    36. Dsstox_gsid_29133

    37. Ac6

    38. Cas-99-93-4

    39. Methyl-p-hydroxyphenyl Ketone

    40. 4-hydroksyacetofenol [polish]

    41. 1-(4-hydroxyphenyl)ethanone (4-hydroxyacetophenone)

    42. Einecs 202-802-8

    43. Unii-g1l3ht4cmh

    44. 4-hydroxylacetophenone

    45. Ai3-12133

    46. P-hydroxacetophenone

    47. Parahydroxyacetophenone

    48. 4'-hyroxyacetophenone

    49. P-hydroxy Acetophenone

    50. P-hydroxy-acetophenone

    51. Rho-hydroxyacetophenone

    52. 4''-hydroxyacetophenone

    53. Acetaminophen Impurity E

    54. 4\'-hydroxypropiophenone

    55. (4-hydroxyphenyl)ethanone

    56. Bmse000593

    57. Bmse000670

    58. Bmse010030

    59. Ec 202-802-8

    60. Wln: Qr Dv1

    61. 4-hap

    62. Schembl40866

    63. Bidd:er0242

    64. 1-(4-hydroxyphenyl) Ethanone

    65. 1-(4-hydroxyphenyl)-ethanone

    66. 4'-hydroxyacetophenone, 99%

    67. 278564_aldrich

    68. Amy921

    69. Dtxsid0029133

    70. Fema No. 4330

    71. 1-(4-hydroxyphenyl)-1-ethanone

    72. Hydroxyacetophenone [inci]

    73. Nsc3698

    74. 2o48

    75. Zinc330136

    76. Act01160

    77. Cs-d1120

    78. Hy-y0073

    79. Str01114

    80. Tox21_200228

    81. Tox21_303602

    82. 4-hydroxyacetophenone [fhfi]

    83. Bdbm50177409

    84. Lt0047

    85. Stk397448

    86. Zinc00330136

    87. Akos000118915

    88. Ac-6123

    89. Ncgc00248570-01

    90. Ncgc00248570-02

    91. Ncgc00257375-01

    92. Ncgc00257782-01

    93. Sy009665

    94. 4'-hydroxyacetophenone, Analytical Standard

    95. Ft-0618684

    96. H0193

    97. Paracetamol Impurity E [ep Impurity]

    98. 70h702

    99. 4 Inverted Exclamation Mark -hydroxyacetophenone

    100. Ab00443569-03

    101. A846106

    102. Ab-131/40179700

    103. 4-(1-hydroxyethylidene)-2,5-cyclohexadiene-1-one

    104. Q7190613

    105. W-100007

    106. Z57040434

    107. F0001-2341

    108. 4'-hydroxyacetophenone (acetaminophen Impurity E), Pharmaceutical Secondary Standards; Certified Reference Material

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 136.15 g/mol
    Molecular Formula C8H8O2
    XLogP31.4
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count1
    Exact Mass136.052429494 g/mol
    Monoisotopic Mass136.052429494 g/mol
    Topological Polar Surface Area37.3 Ų
    Heavy Atom Count10
    Formal Charge0
    Complexity123
    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 Metabolism/Metabolites

    4-Hydroxyacetophenone has known human metabolites that include (2S,3S,4S,5R)-6-(4-acetylphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid.

    S73 | METXBIODB | Metabolite Reaction Database from BioTransformer | DOI:10.5281/zenodo.4056560