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CAS 108-29-2
PharmaCompass
  • Chemistry
CAS 108-29-2
Also known as: 108-29-2, 4-valerolactone, 4-pentanolide, 5-methyldihydrofuran-2(3h)-one, 4-hydroxypentanoic acid lactone, Gamma-pentalactone
Molecular Formula
C5H8O2
Molecular Weight
100.117  g/mol
InChI Key
GAEKPEKOJKCEMS-UHFFFAOYSA-N

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 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 108-29-2

2. 4-valerolactone

3. 4-pentanolide

4. 5-methyldihydrofuran-2(3h)-one

5. 4-hydroxypentanoic Acid Lactone

6. Gamma-pentalactone

7. 4-hydroxyvaleric Acid Lactone

8. 2(3h)-furanone, Dihydro-5-methyl-

9. 5-methyloxolan-2-one

10. 4-methyl-gamma-butyrolactone

11. 4-methyl-4-hydroxybutanoic Acid Lactone

12. Pentanolide-1,4

13. Gamma-valeryllactone

14. Dihydro-5-methyl-2(3h)-furanone

15. .gamma.-valerolactone

16. 5-methyltetrahydro-2-furanone

17. Gamma-methyl-gamma-butyrolactone

18. Gamma-valerolakton [czech]

19. 2(3h)-furanone, Dihydr-5-methyl-

20. Nsc 33700

21. Gamma-pentanolactone

22. Fema No. 3103

23. .gamma.-pentalactone

24. Ccris 3597

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

26. Einecs 203-569-5

27. .gamma.-methyl-.gamma.-butyrolactone

28. Brn 0080420

29. 5-methyltetrahydrofuran-2-one

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

31. Ai3-04327

32. Chembl195593

33. 4-methyl-.gamma.-butyrolactone

34. Chebi:48569

35. Gaekpekojkcems-uhfffaoysa-n

36. Dihydro-5-methylfuran-2(3h)-one

37. Mfcd00005400

38. Gamma-valerolakton

39. Y-valerolactone

40. 4-pentalactone

41. Gamma Valerolactone

42. 4-methylbutyrolactone

43. .gamma.-valerolakton

44. .gamma.-pentanolactone

45. Ac1l1pux

46. Ac1q2qqe

47. 4-methyl-g-butyrolactone

48. Acmc-2098zm

49. (r)-i(3)-valerolactone

50. Gamma-valerolactone Fcc

51. Dsstox_cid_27618

52. Dsstox_rid_82456

53. Dsstox_gsid_47618

54. Schembl37255

55. (r)-?-valerolactone

56. Dihydro-5-methyl-2-furanone

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

58. Ksc492e8f

59. 5-methyl-dihydro-furan-2-one

60. Jsp000712

61. Dtxsid0047618

62. Ctk3j2282

63. Pentanoic Acid, .gamma.-lactone

64. 5-methyldihydro-2(3h)-furanone

65. (.+/-.)-4-methylbutyrolactone

66. Molport-003-939-842

67. (.+/-.)-.gamma.-valerolactone

68. Bb_sc-7058

69. Ks-000001yx

70. Nsc33700

71. 5-methyldihydro-2(3h)-furanone #

72. Dihydro-5-methyl-2(3h)-furanone,

73. Tox21_302624

74. Anw-15920

75. Bbl011475

76. Bdbm50168010

77. Lmfa07040008

78. Nsc-33700

79. Stl146587

80. Akos005206963

81. Ds-4944

82. Ls-3151

83. Mcule-3014789527

84. Ne10397

85. Rtr-001925

86. Gamma-valerolactone, Analytical Standard

87. 4,5-dihydro-5-methyl-2(3h)-furanone

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

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

90. Ncgc00256671-01

91. 4-hydroxypentanoic Acid, .gamma.-lactone

92. 57129-69-8

93. Ak117314

94. An-22505

95. Cas-108-29-2

96. He000158

97. He094925

98. He149712

99. He149713

100. He294175

101. Sc-19108

102. Db-003681

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

104. Kb-246622

105. Tr-001925

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

107. Ft-0626628

108. St24029532

109. Az0001-0023

110. En300-61318

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

112. 2-furanyl, Tetrahydro-2-methyl-5-oxo-

113. 148666-ep2289879a1

114. 148666-ep2374895a1

115. 2(3h)-furanone, Dihydro-5-methyl-, (.+/-.)-

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

117. I14-1390

118. J-002085

119. F0001-0163

120. Z1251171283

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 100.117 g/mol
Molecular Formula C5H8O2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass100.052 g/mol
Monoisotopic Mass100.052 g/mol
Topological Polar Surface Area26.3 A^2
Heavy Atom Count7
Formal Charge0
Complexity88.1
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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