CAS 99-93-4

Granules India Limited has high volume world-class facilities for APIs, PFIs, & FDFs, serving customers in over 80 countries.

Virtual Booth

Contact Supplier

Jai Radhe Sales is your partner for all your sourcing needs.

CHEMISTRY

Discover Molecule Insights

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

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

CAS 99-93-4

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

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

CAS 99-93-4 manufacturers and suppliers on PharmaCompass

CHEMISTRY

Discover Molecule Insights

What are you looking for?