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Also known as: 122-00-9, 1-(p-tolyl)ethanone, P-methylacetophenone, 1-(4-methylphenyl)ethanone, 1-p-tolylethanone, 4-methylacetophenone
Molecular Formula
C9H10O
Molecular Weight
134.17  g/mol
InChI Key
GNKZMNRKLCTJAY-UHFFFAOYSA-N
FDA UNII
AX66V0KX3Y

CAS 122-00-9
4-Methylacetophenone is a metabolite found in or produced by Saccharomyces cerevisiae.
1 2D Structure

CAS 122-00-9

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-(4-methylphenyl)ethanone
2.1.2 InChI
InChI=1S/C9H10O/c1-7-3-5-9(6-4-7)8(2)10/h3-6H,1-2H3
2.1.3 InChI Key
GNKZMNRKLCTJAY-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=CC=C(C=C1)C(=O)C
2.2 Other Identifiers
2.2.1 UNII
AX66V0KX3Y
2.3 Synonyms
2.3.1 MeSH Synonyms

1. P-methylacetophenone

2.3.2 Depositor-Supplied Synonyms

1. 122-00-9

2. 1-(p-tolyl)ethanone

3. P-methylacetophenone

4. 1-(4-methylphenyl)ethanone

5. 1-p-tolylethanone

6. 4-methylacetophenone

7. Melilotal

8. P-methyl Acetophenone

9. Methyl P-tolyl Ketone

10. P-acetyltoluene

11. Ethanone, 1-(4-methylphenyl)-

12. P-acetotoluene

13. 4-acetyltoluene

14. 1-acetyl-4-methylbenzene

15. Acetophenone, 4'-methyl-

16. 1-methyl-4-acetylbenzene

17. 4-methylphenyl Methyl Ketone

18. 1-(4-methylphenyl)ethan-1-one

19. Fema No. 2677

20. 1-p-tolyl-ethanone

21. Nsc 9401

22. Para-methyl Acetophenone

23. Para-methyl-acetophenone

24. Para Methyl Acetophenone

25. Mfcd00008751

26. Ax66v0kx3y

27. (4-methylphenyl) Methyl Ketone

28. Nsc-9401

29. Tolyl Methyl Ketone, P-

30. Einecs 204-514-8

31. Unii-ax66v0kx3y

32. Esberiven

33. Melilot

34. Yellow Melilot

35. Sweet Clover

36. Ai3-00734

37. Para-acetotoluene

38. Fema 2677

39. 4-tolylmethylketone

40. Yellow Sweet Clover

41. 4-methylacteophenone

42. P- Methylacetophenone

43. P-methyl-acetophenone

44. Nchem.328-comp4a

45. 4-methyl Acetophenone

46. P-tolyl Methyl Ketone

47. P- Methyl Acetophenone

48. 4'-methyl-acetophenone

49. 1-(p-tolyl)-ethanone

50. 4'-methyl Acetophenone

51. 4\'-methylacetophenone

52. (4-methylphenyl)ethanone

53. Ec 204-514-8

54. Dsstox_cid_24374

55. Dsstox_rid_80180

56. Dsstox_gsid_44374

57. Schembl55409

58. Methyl-p-tolyl Ketone

59. 1-(4-methylphenyl)-ethanone

60. 4'-methylacetophenone, 95%

61. Wln: 1vr D1

62. 1-(4-methylphenyl)ethanone #

63. Chembl271871

64. Dtxsid9044374

65. 1-(4-methylphenyl)-1-ethanone

66. Nsc9401

67. Chebi:178626

68. 1-(4-methylphenyl)ethanone, 9ci

69. Amy40157

70. Zinc1699969

71. 4-methyl Acetophenone [fcc]

72. Tox21_302023

73. P-methyl Acetophenone [inci]

74. Stl146461

75. 4'-methylacetophenone [fhfi]

76. Akos000119027

77. Cs-w013369

78. Hy-w012653

79. Ncgc00255943-01

80. Ac-26823

81. As-12910

82. Cas-122-00-9

83. 4'-methylacetophenone, Analytical Standard

84. 4'-methylacetophenone, >=95%, Fcc, Fg

85. Db-012815

86. Ft-0619054

87. M0135

88. D70502

89. 4'-methylacetophenone, Purum, >=96.0% (gc)

90. Q2816673

91. W-108442

92. 4'-methylacetophenone, Vetec(tm) Reagent Grade, 94%

93. Z57127458

94. F9995-0065

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 134.17 g/mol
Molecular Formula C9H10O
XLogP32.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass134.073164938 g/mol
Monoisotopic Mass134.073164938 g/mol
Topological Polar Surface Area17.1 Ų
Heavy Atom Count10
Formal Charge0
Complexity121
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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