Isobutyraldehyde

Synopsis, Chemistry

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Also known as: 2-methylpropanal, 78-84-2, Isobutanal, Propanal, 2-methyl-, 2-methylpropionaldehyde, Isobutylaldehyde

Molecular Formula

C₄H₈O

Molecular Weight

72.11 g/mol

InChI Key

AMIMRNSIRUDHCM-UHFFFAOYSA-N

FDA UNII

C42E28168L

isobutyraldehyde is a metabolite found in or produced by Saccharomyces cerevisiae.

1 2D Structure

Isobutyraldehyde

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-methylpropanal

2.1.2 InChI

InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3

2.1.3 InChI Key

AMIMRNSIRUDHCM-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)C=O

2.2 Other Identifiers

2.2.1 UNII

C42E28168L

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 2-methylpropanal

2. Isobutanal

3. Isobutylaldehyde

2.3.2 Depositor-Supplied Synonyms

1. 2-methylpropanal

2. 78-84-2

3. Isobutanal

4. Propanal, 2-methyl-

5. 2-methylpropionaldehyde

6. Isobutylaldehyde

7. Isobutyric Aldehyde

8. Valine Aldehyde

9. Isopropylformaldehyde

10. Isopropylaldehyde

11. 2-methyl-1-propanal

12. Isobutaldehyde

13. Isobutyral

14. Isobutyraldehyd

15. Methylpropanal

16. Methyl Propanal

17. Isobutyryl Aldehyde

18. Isopropyl Aldehyde

19. Alpha-methylpropionaldehyde

20. Isopropyl Formaldehyde

21. Propionaldehyde, 2-methyl-

22. Isobutyl Aldehyde

23. Iso-butyraldehyde

24. Fema No. 2220

25. Nci-c60968

26. Nsc 6739

27. .alpha.-methylpropionaldehyde

28. Iso-c3h7cho

29. 2-methyl-propionaldehyde

30. 2-methyl-propanal

31. Chebi:48943

32. Nsc-6739

33. C42e28168l

34. Isobutyraldehyde, 98%

35. Isobutyraldehyd [czech]

36. Isobutyraldehyde (natural)

37. Isobutyl Aldehy De

38. Butyric Iso Aldehyde

39. Ccris 1101

40. Hsdb 614

41. Einecs 201-149-6

42. Un2045

43. Isobutyraldehye

44. I-butyraldehyde

45. Iso-butanal

46. I-butanal

47. 2-methypropanal

48. Ai3-15311

49. Unii-c42e28168l

50. So-butyl Aldehyde

51. Iso-butyl Aldehyde

52. Mfcd00006980

53. 2-methyl-propan-1-one

54. Dsstox_cid_1635

55. Isobutyraldehyde, >=99%

56. Alpha -methylpropionaldehyde

57. Ec 201-149-6

58. Dsstox_rid_76249

59. Isobutyraldehyde, Redistilled

60. Dsstox_gsid_21635

61. Isopropylcarboxaldehyde

62. Isobutyraldehyde [mi]

63. Isobutyraldehyde, Dry, 98%

64. 2-methylpropanal (isobutanal)

65. Isobutyraldehyde [fcc]

66. Wln: Vhy1&1

67. Isobutyraldehyde [fhfi]

68. Isobutyraldehyde [hsdb]

69. 2-methylpropanal [inci]

70. Chembl1404017

71. Dtxsid9021635

72. Isobutyraldehyde, >=98%, Fg

73. Fema 2220

74. Isobutyraldehyde 2-methylpropanal

75. Isobutyraldehyde [usp-rs]

76. Isobutyraldehyde, >=98%, Fcc

77. Nsc6739

78. Zinc1866952

79. Isobutyraldehyde Or Isobutyl Aldehyde

80. Isobutyraldehyde, Analytical Standard

81. Tox21_200024

82. Bbl034648

83. Stl264210

84. Isobutyraldehyde, Natural, 96%, Fg

85. Akos000119887

86. Un 2045

87. Cas-78-84-2

88. Ncgc00091788-01

89. Ncgc00091788-02

90. Ncgc00257578-01

91. Bp-20619

92. Isobutyraldehyde, Redistilled, >=99.5%

93. Ft-0627379

94. I0101

95. A839508

96. Q418164

97. F2190-0633

98. Isobutyraldehyde Or Isobutyl Aldehyde [un2045] [flammable Liquid]

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₄H₈O
Molecular Weight	72.11 g/mol
XLogP3	0.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	72.057514874 g/mol
Monoisotopic Mass	72.057514874 g/mol
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	5
Formal Charge	0
Complexity	30.6
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