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Also known as: 107-93-7, (e)-but-2-enoic acid, Trans-2-butenoic acid, Trans-crotonic acid, 3724-65-0, (e)-2-butenoic acid
Molecular Formula
C4H6O2
Molecular Weight
86.09  g/mol
InChI Key
LDHQCZJRKDOVOX-NSCUHMNNSA-N
FDA UNII
YW5WZZ4O5Q

CAS 3724-65-0
butenoic acid is a natural product found in Coffea arabica, Daucus carota, and Croton tiglium with data available.
1 2D Structure

CAS 3724-65-0

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(E)-but-2-enoic acid
2.1.2 InChI
InChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)/b3-2+
2.1.3 InChI Key
LDHQCZJRKDOVOX-NSCUHMNNSA-N
2.1.4 Canonical SMILES
CC=CC(=O)O
2.1.5 Isomeric SMILES
C/C=C/C(=O)O
2.2 Other Identifiers
2.2.1 UNII
YW5WZZ4O5Q
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 3-methylacrylic Acid

2. Trans-2-butenoic Acid

2.3.2 Depositor-Supplied Synonyms

1. 107-93-7

2. (e)-but-2-enoic Acid

3. Trans-2-butenoic Acid

4. Trans-crotonic Acid

5. 3724-65-0

6. (e)-2-butenoic Acid

7. (e)-crotonic Acid

8. 3-methylacrylic Acid

9. Butenoic Acid

10. 2-butenoic Acid

11. (2e)-but-2-enoic Acid

12. Alpha-butenoic Acid

13. 2-butenoic Acid, (e)-

14. Beta-methylacrylic Acid

15. 2-butenoic Acid, (2e)-

16. Alpha-crotonic Acid

17. Solid Crotonic Acid

18. Beta-methacrylic Acid

19. Kyselina Krotonova

20. Crotonic Acid, (e)-

21. Crotonicacid

22. (2e)-2-butenoic Acid

23. Nsc 8751

24. 2-butenoate

25. 2e-butenoic Acid

26. Nsc 206946

27. Acrylic Acid, 3-methyl-

28. Nsc-8751

29. Yw5wzz4o5q

30. 2-butenoic Acid, Homopolymer

31. Chebi:41131

32. Nsc8751

33. Alpha-butenoate

34. .alpha.-crotonic Acid

35. Trans-2-butenoate

36. B-methylacrylic Acid

37. (2e)-2-butenoate

38. (e)-but-2-enoate

39. (2e)-but-2-enoate

40. C4:1n-2

41. Kyselina Krotonova [czech]

42. Ch3ch=chcooh

43. 26007-90-9

44. Hsdb 2814

45. Einecs 203-533-9

46. Einecs 223-077-4

47. Unii-yw5wzz4o5q

48. Un2823

49. Chebi:17217

50. Brn 1098434

51. Brn 1719943

52. Crotonsaeure

53. Butenoate

54. A-butenoate

55. A-butenoic Acid

56. A-crotonic Acid

57. Acide Crotonique

58. Ai3-06287

59. 2-butenoicacid

60. 2-butenic Acid

61. Trans-crotonicacid

62. Nsc-206946

63. Un 2823

64. B-methacrylic Acid

65. Mfcd00002701

66. Crotonic Acid, Solid

67. Crotonic Acid, Liquid

68. E-but-2-enoic Acid

69. 3-methyl-acrylic Acid

70. Crotonic Acid, 98%

71. Crotonic Acid, Solid [un2823] [corrosive]

72. Ec 203-533-9

73. Crotonic Acid [mi]

74. Crotonic Acid [hsdb]

75. Crotonic Acid [inci]

76. 4-02-00-01498 (beilstein Handbook Reference)

77. Crotonic Acid, Trans-

78. .beta.-methacrylic Acid

79. Chembl1213528

80. Fema No. 3908

81. Dtxsid30880973

82. Zinc901132

83. Amy11255

84. Hy-y1644

85. Bbl027395

86. Bdbm50427207

87. Lmfa01030195

88. Rb8002

89. Stl146356

90. (e)-2-butenoic Acid [fhfi]

91. Akos000119656

92. At32243

93. Db02074

94. Ncgc00249105-01

95. Db-029600

96. Db-029602

97. Cs-0017976

98. C01771

99. Crotonic Acid, Liquid [un2823] [corrosive]

100. A902650

101. Q414207

102. J-002036

103. Q-101243

104. F2191-0211

2.4 Create Date
2004-09-16
3 Chemical and Physical Properties
Molecular Weight 86.09 g/mol
Molecular Formula C4H6O2
XLogP30.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass86.036779430 g/mol
Monoisotopic Mass86.036779430 g/mol
Topological Polar Surface Area37.3 Ų
Heavy Atom Count6
Formal Charge0
Complexity73.6
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Pharmacology and Biochemistry
4.1 Metabolism/Metabolites

...IT /CROTONIC ACID/ IS KNOWN TO BE CONVERTED TO BETA-HYDROXYBUTYRYL-COA BY THE ENZYME KNOWN AS CROTONASE ENOYL CoA HYDRATE PRESENT IN LIVER & OTHER TISSUES.

Patty, F. (ed.). Industrial Hygiene and Toxicology: Volume II: Toxicology. 2nd ed. New York: Interscience Publishers, 1963., p. 1795


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