120-14-9

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Valsynthese, part of the SSE Group, is a CDMO focused on highly energetic and highly hazardous chemistry.

CHEMISTRY

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3 End Use APIs
5 Related Intermediates

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Also known as: Veratraldehyde, 120-14-9, Veratric aldehyde, Methylvanillin, Vanillin methyl ether, Benzaldehyde, 3,4-dimethoxy-

Molecular Formula

C₉H₁₀O₃

Molecular Weight

166.17 g/mol

InChI Key

WJUFSDZVCOTFON-UHFFFAOYSA-N

FDA UNII

UI88P68JZD

veratraldehyde is a natural product found in Polygala senega, Pluchea sagittalis, and other organisms with data available.

1 2D Structure

120-14-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3,4-dimethoxybenzaldehyde

2.1.2 InChI

InChI=1S/C9H10O3/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-6H,1-2H3

2.1.3 InChI Key

WJUFSDZVCOTFON-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=C(C=C(C=C1)C=O)OC

2.2 Other Identifiers

2.2.1 UNII

UI88P68JZD

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Veratraldehyde

2.3.2 Depositor-Supplied Synonyms

1. Veratraldehyde

2. 120-14-9

3. Veratric Aldehyde

4. Methylvanillin

5. Vanillin Methyl Ether

6. Benzaldehyde, 3,4-dimethoxy-

7. Veratral

8. Veratryl Aldehyde

9. Veratrum Aldehyde

10. 3,4-dimethoxy Benzaldehyde

11. P-veratric Aldehyde

12. 4-o-methylvanillin

13. 3,4-dimethoxybenzenecarbonal

14. Protocatechualdehyde Dimethyl Ether

15. Protocatechuic Aldehyde Dimethyl Ether

16. 3,4-dimethoxy-benzaldehyde

17. Protocatechuecaldehyde Dimethyl Ether

18. Mfcd00003363

19. Nsc 24521

20. Fema No. 3109

21. 3, 4-dimethoxybenzaldehyde

22. Ui88p68jzd

23. Verapamil Related Compound E

24. Chebi:17098

25. Nsc-8500

26. Nsc-24521

27. Benzaldehyde,4-dimethoxy-

28. Dsstox_cid_6285

29. Dsstox_rid_78087

30. Dsstox_gsid_26285

31. Wln: Vhr Co1 Do1

32. Cas-120-14-9

33. Ccris 6285

34. Einecs 204-373-2

35. Unii-ui88p68jzd

36. Brn 0473899

37. Veratrumaldehyde

38. Ai3-08099

39. Fema 3109

40. 3,4dimethoxybenzaldehyde

41. 3,4-dimethoxybenzaldeyde

42. 3,4 Dimethoxybenzaldehyde

43. 3,4-dimethoxybenzaidehyde

44. 4,3-dimethoxybenzaldehyde

45. 4,5-dimethoxybenzaldehyde

46. Bmse010220

47. Veratraldehyde [mi]

48. Veratraldehyde [fcc]

49. Schembl25202

50. Veratraldehyde-[alpha-13c]

51. Veratraldehyde [fhfi]

52. Veratraldehyde, >=98%, Fg

53. Chembl1088937

54. Dtxsid7026285

55. Nsc8500

56. 3,4-dimethoxybenzaldehyde, 99%

57. Zinc155456

58. Act06905

59. Hy-n1096

60. Nsc24521

61. Tox21_201566

62. Tox21_303074

63. Bbl010373

64. S3214

65. Stk188425

66. Akos000118989

67. Cs-w019906

68. Ncgc00091642-01

69. Ncgc00091642-02

70. Ncgc00091642-03

71. Ncgc00257217-01

72. Ncgc00259115-01

73. Ac-10201

74. Ac-34441

75. As-11996

76. Sy004136

77. Benzaldehyde, 3,4-dimethoxy-veratraldehyde

78. Veratraldehyde (3,4-dimethoxybenzaldehyde)

79. Db-014213

80. Am20050100

81. D0507

82. Ft-0600118

83. Ft-0667232

84. Verapamil Related Compound E [usp-rs]

85. C02201

86. Ah-034/32845024

87. Q414395

88. Verapamil Related Compound E [usp Impurity]

89. W-108485

90. F2190-0618

91. Verapamil Hydrochloride Impurity G [ep Impurity]

92. Verapamil Related Compound E, United States Pharmacopeia (usp) Reference Standard

93. 3,4-dimethoxybenzaldehyde (verapamil Related Compound E - Usp), Pharmaceutical Secondary Standard; Certified Reference Material

2.4 Create Date

2004-09-16

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₀O₃
Molecular Weight	166.17 g/mol
XLogP3	1.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	166.062994177 g/mol
Monoisotopic Mass	166.062994177 g/mol
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	147
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