CAS 122-84-9

Chemistry, 3 End Use API, 1 Related Intermediates

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1 Intermediates

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Also known as: 122-84-9, 1-(4-methoxyphenyl)propan-2-one, Anisketone, 2-propanone, 1-(4-methoxyphenyl)-, Anisyl methyl ketone, P-acetonylanisole

Molecular Formula

C₁₀H₁₂O₂

Molecular Weight

164.20 g/mol

InChI Key

WFWKNGZODAOLEO-UHFFFAOYSA-N

FDA UNII

6XYW3YJJ33

P-anisyl methyl ketone is a natural product found in Illicium verum, Clausena heptaphylla, and Pimpinella anisum with data available.

1 2D Structure

CAS 122-84-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-(4-methoxyphenyl)propan-2-one

2.1.2 InChI

InChI=1S/C10H12O2/c1-8(11)7-9-3-5-10(12-2)6-4-9/h3-6H,7H2,1-2H3

2.1.3 InChI Key

WFWKNGZODAOLEO-UHFFFAOYSA-N

2.1.4 Canonical SMILES

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

2.2 Other Identifiers

2.2.1 UNII

6XYW3YJJ33

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 122-84-9

2. 1-(4-methoxyphenyl)propan-2-one

3. Anisketone

4. 2-propanone, 1-(4-methoxyphenyl)-

5. Anisyl Methyl Ketone

6. P-acetonylanisole

7. P-methoxyphenylacetone

8. Anisic Ketone

9. 1-(4-methoxyphenyl)-2-propanone

10. 1-(p-methoxyphenyl)-2-propanone

11. 4-methoxybenzyl Methyl Ketone

12. P-methoxybenzyl Methyl Ketone

13. 1-(4-methoxyphenyl)acetone

14. 1-(p-anisyl)-2-propanone

15. 4'-methoxyphenyl-2-propanone

16. 2-propanone, 1-(p-methoxyphenyl)-

17. 2-propanone, (p-methoxyphenyl)-

18. P-anisylacetone

19. (p-methoxyphenyl)-2-propanone

20. Fema No. 2674

21. Nsc 22983

22. 1-(4-methoxy-phenyl)-propan-2-one

23. Para-anisyl Methyl Ketone

24. Mfcd00008773

25. 6xyw3yjj33

26. Nsc-22983

27. Nsc-46101

28. P-anisylactone

29. Einecs 204-578-7

30. Unii-6xyw3yjj33

31. Brn 2044332

32. Anisylaceton

33. Anisyl Ketone

34. Anisylacetone?

35. Ai3-37913

36. 1-(p-methoxyphenyl)-2-propanone (natural)

37. 4-acetonylanisole

38. P-methoxy Phenylacetone

39. 4-methoxyphenoxyacetone

40. 4-methoxy Phenylacetone

41. 4-methoxyphenyl Acetone

42. (p-methoxyphenyl)acetone

43. 4-methoxy Phenyl Acetone

44. Anisylmethyl Ketone

45. Schembl48525

46. Ghl.pd_mitscher_leg0.658

47. 4-08-00-00460 (beilstein Handbook Reference)

48. 4-methoxyphenyl-propan-2-one

49. 1-(4-methoxyphenyl)acetone #

50. Chembl473366

51. Para-methoxyphenylacetone

52. Dtxsid9059545

53. 4-methoxyphenylacetone, >=97%

54. Fema 2674

55. Chebi:180410

56. 1-(4'-methoxyphenyl)-2-propanone

57. 1-(4-methoxy-phenyl)propan-2-one

58. 1-(4-methoxyphenyl)-propan-2-one

59. Nsc22983

60. Nsc46101

61. Zinc1848437

62. 1-(4methoxy-phenyl)-propan-2-one

63. Bbl027728

64. Stl146340

65. Akos000119418

66. Ab00957

67. Ac-5625

68. Cs-w002045

69. 3-(4-methoxyphenyl)-2-propanone

70. As-12912

71. Sy001528

72. 1-(p-methoxyphenyl)-2-propanone, >=97%

73. Db-003502

74. Am20050064

75. Ft-0618954

76. Ft-0671146

77. M0675

78. 1-(p-methoxyphenyl)-2-propanone [fhfi]

79. A804974

80. W-108423

81. Q27265692

82. F0001-0359

83. Mebeverine Hydrochloride Impurity A [ep Impurity]

84. 915232-26-7

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₂O₂
Molecular Weight	164.20 g/mol
XLogP3	1.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	164.083729621 g/mol
Monoisotopic Mass	164.083729621 g/mol
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	146
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

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Synthokem Labs

Synthokem Labs specializes in producing APIs and intermediates for the global pharma industry.

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1-(4-Methoxy Phenyl) Acetone

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CAS Number

122-84-9

End Use API

Synthokem Labs Pvt Ltd is a privately owned company established in 1978, specializing in the production o...

Synthokem Labs Pvt Ltd is a privately owned company established in 1978, specializing in the production of Active Pharmaceutical Ingredients and Drug Intermediates. Operating across two states, Telangana and Andhra Pradesh, in India, the company has earned global recognition for its expertise in manufacturing and distributing a diverse range of products. With a strong focus on research and development, Synthokem Labs is dedicated to offering accessible and affordable pharmaceutical solutions to those in need.

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SPC Lifesciences Pvt. Ltd

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4-Methoxyphenylacetone

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CAS Number

122-84-9

End Use API

Mebeverine

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Established in 2006, SPC Lifesciences is a truly knowledge driven and fully integrated pharmaceutical com...

Established in 2006, SPC Lifesciences is a truly knowledge driven and fully integrated pharmaceutical company creating global solutions. We are a dynamic chemical synthesis company associated with the pharmaceutical and life sciences industry. For projects that involve complex chemistry and technological excellence & Import substitutes, we have a team that has a proven track record delivering - every time. We are the leading manufacturer & exporter of a broad range of pharmaceutical active ingredients and intermediates which are extensively used in various finished doses & research laboratories.

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122-84-9

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Mebeverine

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Vihita Bio Chem is a rapidly growing and fully integrated company engaged in the manufacturing of drug in...

Vihita Bio Chem is a rapidly growing and fully integrated company engaged in the manufacturing of drug intermediates, specialty chemicals, and fine chemicals. Strategically located in Ankleshwar, the largest chemical zone in Asia, the company benefits from excellent connectivity through land and sea routes to major ports in India, facilitating efficient exports. As a fully integrated entity, Vihita Bio Chem has established itself as a key player in the production of drug intermediates and specialty chemicals. Its global presence underscores its commitment to meeting the demands of the pharmaceutical and chemical industries on a broad scale.

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