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    Technical details about MolPort-000-872-040, learn more about the structure, uses, toxicity, action, side effects and more

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    MolPort-000-872-040

    PRICE INFORMATION

    DOSSIERs // Finished Dosage Forms

    PharmaCompass

    Minakem offers CDMO services for API & HPAPI, generics, regulatory expertise, track record performance & FDA & GMP certifications.

    ChemWerth works in generic API development & supply, non-infringement patent strategy development and regulatory support.

    2D Structure
    Also known as: 4-methylphenol, 106-44-5, 4-cresol, 4-hydroxytoluene, Phenol, 4-methyl-, P-methylphenol
    Molecular Formula
    C7H8O
    Molecular Weight
    108.14  g/mol
    InChI Key
    IWDCLRJOBJJRNH-UHFFFAOYSA-N
    FDA UNII
    1MXY2UM8NV
    P-cresol is a natural product found in Podocarpus fasciculus, Artemisia macrocephala, and other organisms with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-methylphenol
    2.1.2 InChI
    InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3
    2.1.3 InChI Key
    IWDCLRJOBJJRNH-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=CC=C(C=C1)O
    2.2 Other Identifiers
    2.2.1 UNII
    1MXY2UM8NV
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 4-cresol

    2. 4-cresol, Aluminum Salt

    3. 4-cresol, Potassium Salt

    4. 4-cresol, Sodium Salt

    5. 4-methylphenol

    6. Para-cresol

    2.3.2 Depositor-Supplied Synonyms

    1. 4-methylphenol

    2. 106-44-5

    3. 4-cresol

    4. 4-hydroxytoluene

    5. Phenol, 4-methyl-

    6. P-methylphenol

    7. Para-cresol

    8. P-hydroxytoluene

    9. P-tolyl Alcohol

    10. P-kresol

    11. P-oxytoluene

    12. P-toluol

    13. P-cresylic Acid

    14. 1-hydroxy-4-methylbenzene

    15. Paracresol

    16. P-methylhydroxybenzene

    17. 1-methyl-4-hydroxybenzene

    18. Paramethyl Phenol

    19. Para-cresylic Acid

    20. 4-methyl Phenol

    21. Cresol, Para-

    22. Cresol, P-

    23. P-kresol [german]

    24. Cresol, P-isomer

    25. Fema No. 2337

    26. Cresol, Para

    27. P-methyl Phenol

    28. 4-methyl-phenol

    29. 4-methylphenol (p-cresol)

    30. Nsc 3696

    31. Mfcd00002376

    32. 1mxy2um8nv

    33. Chembl16645

    34. Phenol, 4-methyl-, Homopolymer

    35. Chebi:17847

    36. Nsc-3696

    37. Ncgc00091519-04

    38. Toluene,4-hydroxy (para-cresol)

    39. P-cresol [un2076] [poison, Corrosive]

    40. Dsstox_cid_1869

    41. Dsstox_rid_76375

    42. Dsstox_gsid_21869

    43. 27289-34-5

    44. Cas-106-44-5

    45. Ccris 647

    46. Hsdb 1814

    47. Einecs 203-398-6

    48. Unii-1mxy2um8nv

    49. Para Cresol

    50. P-cresylate

    51. P-methyl-phenol

    52. Ai3-00150

    53. 4 -methylphenol

    54. Cresol,p-

    55. Para-cresyl Alcohol

    56. Phenol, 4-methyi

    57. P-cresol, 99%

    58. Spectrum_000850

    59. P-cresol, High Purity

    60. 4-methyl Phenol 99%

    61. P-cresol [fhfi]

    62. P-cresol [hsdb]

    63. P-cresol [inci]

    64. Spectrum2_000765

    65. Spectrum4_001740

    66. Spectrum5_000540

    67. P-cresol [mi]

    68. Schembl375

    69. Bmse000458

    70. Ec 203-398-6

    71. Dsstox_rid_77380

    72. Dsstox_rid_77554

    73. Nciopen2_001516

    74. Wln: Qr D1

    75. Dsstox_gsid_24364

    76. Dsstox_gsid_24858

    77. Kbiogr_002160

    78. Kbioss_001330

    79. 1-hydroxyl 4-methyl Benzene

    80. P-cresol, Analytical Standard

    81. Bidd:er0010

    82. Divk1c_000381

    83. Spectrum1500209

    84. P-cresol, >=99%, Fg

    85. Spbio_000810

    86. Schembl7812506

    87. Sgcut00097

    88. Dtxsid7021869

    89. Hms501d03

    90. Kbio1_000381

    91. Kbio2_001330

    92. Kbio2_003898

    93. Kbio2_006466

    94. Nsc3696

    95. Paracresol [usp Impurity]

    96. Ninds_000381

    97. Hms1920a16

    98. Hms2091i04

    99. Pharmakon1600-01500209

    100. Zinc897142

    101. P-cresol, For Synthesis, 98.0%

    102. 4-methylphenol, Analytical Standard

    103. Nsc95259

    104. To_000033

    105. Tox21_113240

    106. Tox21_113445

    107. Tox21_200402

    108. Tox21_201115

    109. Tox21_300029

    110. Bdbm50008543

    111. Ccg-38990

    112. Nsc-95259

    113. Nsc756709

    114. Stl183323

    115. Akos000119005

    116. Tox21_113445_1

    117. Db01688

    118. Idi1_000381

    119. Ncgc00013272-01

    120. Ncgc00091519-01

    121. Ncgc00091519-02

    122. Ncgc00091519-03

    123. Ncgc00091519-05

    124. Ncgc00091519-06

    125. Ncgc00091519-07

    126. Ncgc00091519-09

    127. Ncgc00253980-01

    128. Ncgc00257956-01

    129. Ncgc00258667-01

    130. 4-methylphenol 10 Microg/ml In Methanol

    131. Ps-11958

    132. 4-methylphenol 100 Microg/ml In Methanol

    133. Cas-1319-77-3

    134. P-cresol, Jis Special Grade, >=99.0%

    135. Sbi-0051322.p003

    136. Metacresol Impurity C [ep Impurity]

    137. Ft-0660000

    138. 4-methylphenol 100 Microg/ml In Cyclohexane

    139. P-cresol, Puriss. P.a., >=99.0% (gc)

    140. Amylmetacresol Impurity D [ep Impurity]

    141. C01468

    142. Ab00051955_02

    143. Q312251

    144. Sr-05000002037

    145. J-001591

    146. J-515803

    147. Sr-05000002037-1

    148. F1908-0066

    149. 2876-02-0

    2.4 Create Date
    2004-09-16
    3 Chemical and Physical Properties
    Molecular Weight 108.14 g/mol
    Molecular Formula C7H8O
    XLogP31.9
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count0
    Exact Mass108.057514874 g/mol
    Monoisotopic Mass108.057514874 g/mol
    Topological Polar Surface Area20.2 Ų
    Heavy Atom Count8
    Formal Charge0
    Complexity62.8
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Drug and Medication Information
    4.1 Therapeutic Uses

    MEDICATION (VET): Local antiseptic, parasiticide, disinfectant; has been used as an intestinal antiseptic

    O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Cambridge, UK: Royal Society of Chemistry, 2013., p. 460

    Disinfectant

    O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Cambridge, UK: Royal Society of Chemistry, 2013., p. 460

    5 Pharmacology and Biochemistry
    5.1 Absorption, Distribution and Excretion

    Humans normally excrete approximately 50 mg of p-cresol in the urine daily. p-Cresol is produced endogenously from tyrosine by anaerobic bacteria in the gastrointestinal tract.

    Sullivan, J.B., Krieger G.R. (eds). Clinical Environmental Health and Toxic Exposures. Second edition. Lippincott Williams and Wilkins, Philadelphia, Pennsylvania 1999., p. 1259

    The normal human excretes 16 to 39 mg p-cresol/day.

    Bingham, E.; Cohrssen, B.; Powell, C.H.; Patty's Toxicology Volumes 1-9 5th ed. John Wiley & Sons. New York, N.Y. (2001)., p. V4 446

    Cresols are slightly more corrosive /to the skin or eyes/ than phenol, but systemic effects may be a little milder because of slower absorption.

    Gosselin, R.E., R.P. Smith, H.C. Hodge. Clinical Toxicology of Commercial Products. 5th ed. Baltimore: Williams and Wilkins, 1984., p. II-192

    Healthy humans excrete an average of about 50 mg (range 16-74 mg) of p-cresol in the urine daily. Endogenous p-cresol is produced from tyrosine, an amino acid present in most proteins, by anaerobic bacteria in the intestine. Free p-cresol formed in this way is absorbed from the intestine and eliminated in the urine as conjugates.

    WHO; Environ Health Criteria 168: Cresols (1995). Available from, as of December 22, 2014: https://www.inchem.org/pages/ehc.html

    For more Absorption, Distribution and Excretion (Complete) data for p-CRESOL (9 total), please visit the HSDB record page.

    5.2 Metabolism/Metabolites

    p-Cresol fed to rabbits is excreted in the urine as the glucuronide (60%) and sulfate (15%) conjugates, some 10% is oxidized to p-hydroxybenzoic acid and a trace is hydroxylated to 3,4-dihydroxytoluene.

    Parke, D. V. The Biochemistry of Foreign Compounds. Oxford: Pergamon Press, 1968., p. 147

    p-Cresol yields p-cresyl-beta-d-glucuronide, p-cresyl sulfate, p-hydroxybenzyl alcohol, 4-methylcatechol, and p-methylanisole in rabbits.

    Goodwin, B.L. Handbook of Intermediary Metabolism of Aromatic Compounds. New York: Wiley, 1976., p. C-59

    p-Cresol yields p-cresyl sulfate in man.

    Goodwin, B.L. Handbook of Intermediary Metabolism of Aromatic Compounds. New York: Wiley, 1976., p. C-59

    p-Cresol yields p-cresyl sulfate and p-methylanisole in rats.

    Goodwin, B.L. Handbook of Intermediary Metabolism of Aromatic Compounds. New York: Wiley, 1976., p. C-59

    For more Metabolism/Metabolites (Complete) data for p-CRESOL (18 total), please visit the HSDB record page.

    4-Methylphenol has known human metabolites that include (2S,3S,4S,5R)-3,4,5-Trihydroxy-6-(4-methylphenoxy)oxane-2-carboxylic acid, 4-Hydroxybenzyl alcohol, 4-Methyl-2,5-cyclohexadien-1-one, and 4-methyl-hydroquinone.

    4-Methylphenol is a known human metabolite of toluene.

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

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