CAS-108-29-2

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Also known as: 108-29-2, 4-pentanolide, 4-valerolactone, 5-methyldihydrofuran-2(3h)-one, 5-methyloxolan-2-one, 4-hydroxypentanoic acid lactone

Molecular Formula

C₅H₈O₂

Molecular Weight

100.12 g/mol

InChI Key

GAEKPEKOJKCEMS-UHFFFAOYSA-N

FDA UNII

O7056XK37X

gamma-valerolactone is a natural product found in Coffea arabica, Vitis vinifera, and other organisms with data available.

1 2D Structure

CAS 108-29-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-methyloxolan-2-one

2.1.2 InChI

InChI=1S/C5H8O2/c1-4-2-3-5(6)7-4/h4H,2-3H2,1H3

2.1.3 InChI Key

GAEKPEKOJKCEMS-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1CCC(=O)O1

2.2 Other Identifiers

2.2.1 UNII

O7056XK37X

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 4-valerolactone

2.3.2 Depositor-Supplied Synonyms

1. 108-29-2

2. 4-pentanolide

3. 4-valerolactone

4. 5-methyldihydrofuran-2(3h)-one

5. 5-methyloxolan-2-one

6. 4-hydroxypentanoic Acid Lactone

7. Gamma-pentalactone

8. 4-hydroxyvaleric Acid Lactone

9. 2(3h)-furanone, Dihydro-5-methyl-

10. 4-methyl-gamma-butyrolactone

11. Gamma-methyl-gamma-butyrolactone

12. 4-methyl-4-hydroxybutanoic Acid Lactone

13. Dihydro-5-methyl-2(3h)-furanone

14. .gamma.-valerolactone

15. 5-methyltetrahydro-2-furanone

16. Nsc 33700

17. Fema No. 3103

18. 2(3h)-furanone, Dihydr-5-methyl-

19. .gamma.-methyl-.gamma.-butyrolactone

20. Gamma-pentanolactone

21. .gamma.-pentalactone

22. Valeric Acid, 4-hydroxy-, Gamma-lactone

23. Mfcd00005400

24. Chembl195593

25. 4-methyl-.gamma.-butyrolactone

26. Chebi:48569

27. 5-methyldihydro-2(3h)-furanone

28. Dihydro-5-methylfuran-2(3h)-one

29. O7056xk37x

30. Nsc-33700

31. Valeric Acid, 4-hydroxy-, .gamma.-lactone

32. Pentanoic Acid, 4-hydroxy-, .gamma.-lactone

33. Pentanolide-1,4

34. 2(3h)-furanone, Dihydro-5-methyl-, Homopolymer

35. 219630-19-0

36. Gamma-valeryllactone

37. Gamma-valerolakton

38. Gamma-valerolakton [czech]

39. Gamma Valerolactone

40. Ccris 3597

41. Einecs 203-569-5

42. Brn 0080420

43. 5-methyltetrahydrofuran-2-one

44. Y-valerolactone

45. Pentanoic Acid, 4-hydroxy-, Gamma-lactone

46. Unii-o7056xk37x

47. Ai3-04327

48. Gamma -valerolactone

49. .gamma.-valerolakton

50. .gamma.-pentanolactone

51. 4-methyl-g-butyrolactone

52. Dsstox_cid_27618

53. Dsstox_rid_82456

54. Dsstox_gsid_47618

55. Schembl37255

56. Dihydro-5-methyl-2-furanone

57. 5-17-09-00024 (beilstein Handbook Reference)

58. 5-methyl-dihydro-furan-2-one

59. Dtxsid0047618

60. Pentanoic Acid, .gamma.-lactone

61. Gamma-valerolactone [fcc]

62. (.+/-.)-4-methylbutyrolactone

63. (.+/-.)-.gamma.-valerolactone

64. (rs)-.gamma.-pentalactone

65. Nsc33700

66. (3-amino-pyridin-2-yl)-aceticacid

67. 5-methyldihydro-2(3h)-furanone #

68. Dihydro-5-methyl-2(3h)-furanone,

69. Tox21_302624

70. Bbl011475

71. Bdbm50168010

72. Lmfa07040008

73. Stl146587

74. .gamma.-valerolactone [fhfi]

75. Akos005206963

76. Gamma-valerolactone,delta-valerolactone

77. Cs-w016654

78. Ds-4944

79. Gamma-valerolactone, Analytical Standard

80. Gamma-valerolactone, >=99%, Fcc, Fg

81. Gamma-valerolactone, Natural, 95%, Fg

82. Ncgc00256671-01

83. Bp-31066

84. Cas-108-29-2

85. Sy011304

86. (+/-)-.gamma.-methylbutyrolactone

87. Db-003681

88. Gamma-valerolactone, Reagentplus(r), 99%

89. Ft-0605160

90. Ft-0626628

91. V0007

92. En300-61318

93. 4-hydroxypentanoic Acid .gamma.-lactone

94. P20539

95. A895293

96. Q845530

97. 2(3h)-furanone, Dihydro-5-methyl-, (.+/-.)-

98. Gamma-valerolactone, Vetec(tm) Reagent Grade, 98%

99. J-002085

100. F0001-0163

101. Z1251171283

102. 4,5-dihydro-5-methyl-2(3h)-furanone~4-hydroxypentanoic Acid Lactone~gamma-pentanolactone

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₅H₈O₂
Molecular Weight	100.12 g/mol
XLogP3	0.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	100.052429494 g/mol
Monoisotopic Mass	100.052429494 g/mol
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	88.1
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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