CAS 122-00-9

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14 End Use APIs
27 Related Intermediates

Chemistry

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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

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 Formula	C₉H₁₀O
Molecular Weight	134.17 g/mol
XLogP3	2.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	134.073164938 g/mol
Monoisotopic Mass	134.073164938 g/mol
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	121
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