Also known as: 1667-01-2, 1-mesitylethanone, Acetylmesitylene, Acetomesitylene, 1-(2,4,6-trimethylphenyl)ethanone, Mesityl methyl ketone

Molecular Formula

C₁₁H₁₄O

Molecular Weight

162.23 g/mol

InChI Key

XWCIICLTKWRWCI-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-(2,4,6-trimethylphenyl)ethanone

2.1.2 InChI

InChI=1S/C11H14O/c1-7-5-8(2)11(10(4)12)9(3)6-7/h5-6H,1-4H3

2.1.3 InChI Key

XWCIICLTKWRWCI-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=CC(=C(C(=C1)C)C(=O)C)C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1667-01-2

2. 1-mesitylethanone

3. Acetylmesitylene

4. Acetomesitylene

5. 1-(2,4,6-trimethylphenyl)ethanone

6. Mesityl Methyl Ketone

7. Ethanone, 1-(2,4,6-trimethylphenyl)-

8. 2,4,6-trimethylacetophenone

9. Methyl 2,4,6-trimethylphenyl Ketone

10. Acetophenone, 2',4',6'-trimethyl-

11. 1-mesitylethan-1-one

12. 1,3,5-trimethyl-2-acetylbenzene

13. 1-acetyl-2,4,6-trimethylbenzene

14. Nsc 65636

15. 51885-97-3

16. 1-(2,4,6-trimethyl-phenyl)-ethanone

17. 1-(2,4,6-trimethylphenyl)-1-ethanone

18. 2-acetylmesitylene

19. Einecs 216-783-9

20. 1-mesitylethanone #

21. Methyl Mesityl Ketone

22. Ai3-11164

23. Unii-j9e8zrc2we

24. J9e8zrc2we

25. Nciopen2_000113

26. 2',6'-trimethylacetophenone

27. Schembl698413

28. 2,4,6-trimethyl-acetophenone

29. 1,5-trimethyl-2-acetylbenzene

30. Acetophenone,4',6'-trimethyl-

31. Dtxsid1061865

32. Ethanone,4,6-trimethylphenyl)-

33. Methyl 2,6-trimethylphenyl Ketone

34. 2',4', 6'-trimethylacetophenone

35. 2',4',6'-trimethyl Acetophenone

36. Albb-022477

37. Nsc65636

38. Zinc1081287

39. 2', 4', 6'-trimethylacetophenone

40. Mfcd00008735

41. Nsc-65636

42. Stl281391

43. 1-(2,4,6-trimethylphenyl)-ethanone

44. Akos000120526

45. 4-methoxy-3-nitrobenzoylchloride

46. Ethanone,1-(2,4,6-trimethylphenyl)-

47. S10572

48. 1-(2,4,6-trimethylphenyl)ethan-1-one

49. As-10615

50. Bp-12622

51. 2',4',6'-trimethylacetophenone, 97+%

52. Db-019843

53. Am20030116

54. Cs-0074269

55. Ft-0609895

56. Ft-0693011

57. A810757

58. 2',4',6'-trimethylacetophenone, >=98.0% (gc)

59. W-109691

60. Q63396022

61. F2146-0688

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₄O
Molecular Weight	162.23 g/mol
XLogP3	2.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	162.104465066 g/mol
Monoisotopic Mass	162.104465066 g/mol
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	162
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

CAS 1667-01-2

CAS 1667-01-2

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