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CAS 118-93-4 manufacturers and suppliers on PharmaCompass

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CAS 118-93-4
Also known as: 118-93-4, 1-(2-hydroxyphenyl)ethanone, 2-acetylphenol, O-hydroxyacetophenone, O-acetylphenol, O-hydroxyphenyl methyl ketone
Molecular Formula
C8H8O2
Molecular Weight
136.15  g/mol
InChI Key
JECYUBVRTQDVAT-UHFFFAOYSA-N
FDA UNII
3E533Z76W0

o-acetylphenol is a natural product found in Castanopsis cuspidata, Paeonia lactiflora, and other organisms with data available.
1 2D Structure

CAS 118-93-4

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-(2-hydroxyphenyl)ethanone
2.1.2 InChI
InChI=1S/C8H8O2/c1-6(9)7-4-2-3-5-8(7)10/h2-5,10H,1H3
2.1.3 InChI Key
JECYUBVRTQDVAT-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(=O)C1=CC=CC=C1O
2.2 Other Identifiers
2.2.1 UNII
3E533Z76W0
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 1-(2-hydroxyphenyl)ethanone

2. 1-(2-hydroxyphenyl)ethanone, Sodium Salt

3. O-hydroxyacetophenone

2.3.2 Depositor-Supplied Synonyms

1. 118-93-4

2. 1-(2-hydroxyphenyl)ethanone

3. 2-acetylphenol

4. O-hydroxyacetophenone

5. O-acetylphenol

6. O-hydroxyphenyl Methyl Ketone

7. 1-(2-hydroxyphenyl)ethan-1-one

8. 2-hydroxyphenyl Methyl Ketone

9. Acetophenone, 2'-hydroxy-

10. Ethanone, 1-(2-hydroxyphenyl)-

11. Methyl 2-hydroxyphenyl Ketone

12. Acetophenone, O-hydroxy-

13. Usaf Ke-20

14. 104809-67-8

15. 2/'-hydroxyacetophenone

16. Fema No. 3548

17. Nsc 16933

18. Ethanone, 1-(hydroxyphenyl)-

19. 2-hydroxyacetylbenzene

20. Paracetamol Impurity I

21. Ortho-hydroxyacetophenone

22. 125507-95-1

23. 1-(2-hydroxyphenyl)-ethanone

24. Chembl3187012

25. 2-acetophenol

26. Mfcd00002219

27. Nsc-16933

28. 3e533z76w0

29. 2,4-cyclohexadien-1-one, 6-(1-hydroxyethylidene)- (9ci)

30. Wln: Qr Bv1

31. 2-hydroxyacetophenone-d7

32. Einecs 204-288-0

33. Brn 0386123

34. O-acetyl Phenol

35. Ai3-12134

36. Unii-3e533z76w0

37. Fema 3548

38. Orthohydroxyacetophenone

39. 2`-hydroxyacetophenone

40. 2'-hydroxy-acetophenone

41. 2\'-hydroxyacetophenone

42. 1-(hydroxyphenyl)ethanone

43. 1-(2-hydroxyphenyl)etanone

44. Dsstox_cid_20285

45. Dsstox_rid_79470

46. Dsstox_gsid_40285

47. Schembl40865

48. 4-08-00-00320 (beilstein Handbook Reference)

49. Acetophenone,2-hydroxy

50. 1-(2-hydroxy-phenyl)ethanone

51. 1-(2-hydroxy Phenyl)-ethanone

52. 1-(2-hydroxy-phenyl)-ethanone

53. Dtxsid7040285

54. Nsc9263

55. 2'-hydroxyacetophenone, >=98%

56. Chebi:145716

57. 1-(2-hydroxyphenyl)ethanone, 9ci

58. Acetophenone, 2'-hydroxy- (8ci)

59. Act05307

60. Hy-y1426

61. Nsc-9263

62. Nsc16933

63. Nsc44452

64. Str00372

65. Zinc1699884

66. Tox21_301119

67. 2-hydroxyacetophenone [fhfi]

68. Bbl012126

69. Bdbm50140214

70. Nsc-44452

71. S9375

72. Stl163508

73. 2`-hydroxyacetophenone 2-acetylphenol

74. Akos000118832

75. Ac-5622

76. Ccg-266129

77. Cs-w020051

78. Ps-3396

79. Ncgc00248294-01

80. Ncgc00257527-01

81. Bp-13220

82. Cas-118-93-4

83. 2'-hydroxyacetophenone, Analytical Standard

84. Am20060222

85. Ft-0612573

86. Ft-0652315

87. Ft-0669287

88. H0192

89. Paracetamol Impurity I [ep Impurity]

90. 2'-hydroxyacetophenone, Reagentplus(r), 99%

91. D70588

92. 2'-hydroxyacetophenone (acetaminophen Impurity I)

93. A801063

94. A804129

95. W-108529

96. Q27257104

97. Z57101014

98. 2'-hydroxyacetophenone, Vetec(tm) Reagent Grade, 98%

99. F1908-0162

100. 1-(6-hydroxycyclohexa-2,4-dien-1-yl)ethanone;2'-hydroxyacetophenone

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 136.15 g/mol
Molecular Formula C8H8O2
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area37.3
Heavy Atom Count10
Formal Charge0
Complexity131
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

2'-Hydroxyacetophenone is a known human metabolite of 2'-methoxyacetophenone.

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


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