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ACTIVE PHARMA INGREDIENTS

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Chemistry

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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

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 Formula	C₈H₈O₂
Molecular Weight	136.15 g/mol
XLogP3	1.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	136.052429494 g/mol
Monoisotopic Mass	136.052429494 g/mol
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	123
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1