1. Also known as: 2-ethyl-3-hydroxy-4h-pyran-4-one, 4940-11-8, 2-ethyl-3-hydroxy-4-pyrone, Ethylmaltol, 2-ethyl-3-hydroxypyran-4-one, Veltol plus

Molecular Formula

C₇H₈O₃

Molecular Weight

140.14 g/mol

InChI Key

YIKYNHJUKRTCJL-UHFFFAOYSA-N

FDA UNII

L6Q8K29L05

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-ethyl-3-hydroxypyran-4-one

2.1.2 InChI

InChI=1S/C7H8O3/c1-2-6-7(9)5(8)3-4-10-6/h3-4,9H,2H2,1H3

2.1.3 InChI Key

YIKYNHJUKRTCJL-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCC1=C(C(=O)C=CO1)O

2.2 Other Identifiers

2.2.1 UNII

L6Q8K29L05

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 3-hydroxy-2-ethyl-4-pyrone

2. Ethylmaltol

3. Indium Ethylmaltol

2.3.2 Depositor-Supplied Synonyms

1. 2-ethyl-3-hydroxy-4h-pyran-4-one

2. 4940-11-8

3. 2-ethyl-3-hydroxy-4-pyrone

4. Ethylmaltol

5. 2-ethyl-3-hydroxypyran-4-one

6. Veltol Plus

7. 3-hydroxy-2-ethyl-4-pyrone

8. 4h-pyran-4-one, 2-ethyl-3-hydroxy-

9. 2-ethylpyromeconic Acid

10. 2-ethyl Pyromeconic Acid

11. Maltol-ethyl

12. 3-hydroxy-2-ethyl-1,4-pyrone

13. 3-hydroxy-2-ethyl-4h-pyran-4-one

14. Ethyl Hydroxypyrone

15. Fema No. 3487

16. L6q8k29l05

17. Nsc638851

18. Nsc-638851

19. E637

20. 3-hydroxy-2-ethyl-gamma-pyrone

21. 2-ethyl-3-hydroxy-pyran-4-one

22. Einecs 225-582-5

23. Ethyl Maltol [nf]

24. Mfcd00059795

25. Brn 1618110

26. Ethyl Maltol [ii]

27. Ethyl Maltol [mi]

28. Ethyl Maltol [fcc]

29. Dsstox_cid_21516

30. Dsstox_rid_79760

31. Ethyl Maltol [fhfi]

32. Dsstox_gsid_41516

33. Schembl41817

34. Ethyl Maltol [vandf]

35. Ethyl Maltol [mart.]

36. Unii-l6q8k29l05

37. Ethyl Maltol [usp-rs]

38. Chembl121557

39. Ins No.637

40. Dtxsid5041516

41. Fema 3487

42. Ethyl Maltol, Analytical Standard

43. Ins-637

44. Chebi:169105

45. Ethyl Hydroxypyrone [inci]

46. Zinc395594

47. 3-hydroxy-2-ethyl-.gamma.-pyrone

48. Tox21_300800

49. Bbl036457

50. Ethyl Maltol, >=99%, Fcc, Fg

51. S6335

52. Stl559005

53. Akos015915123

54. Cs-w011036

55. Hy-w010320

56. 3-hydroxy-2-ethyl-4-pyrone11/8/40

57. Ncgc00248174-01

58. Ncgc00254704-01

59. As-13959

60. Bp-12441

61. Cas-4940-11-8

62. 2-ethyl-3-hydroxy-4h-pyran-4-one, 99%

63. 3-hydroxy-2-ethyl-laquo Gammaraquo -pyrone

64. E-637

65. Ft-0612242

66. H0550

67. C20362

68. H10673

69. 5-18-01-00135 (beilstein Handbook Reference)

70. A827709

71. Q930843

72. Q-201087

73. Z1868163322

74. 2-ethyl-3-hydroxy-pyran-4-one;2-ethyl-3-hydroxy-4h-pyran-4-one

75. Ethyl Maltol, United States Pharmacopeia (usp) Reference Standard

76. Ethyl Maltol, Pharmaceutical Secondary Standard; Certified Reference Material

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₇H₈O₃
Molecular Weight	140.14 g/mol
XLogP3	0.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	140.047344113 g/mol
Monoisotopic Mass	140.047344113 g/mol
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	213
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

Technical details about Tox21_300800, learn more about the structure, uses, toxicity, action, side effects and more

Tox21_300800

Synopsis

Chemistry

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Tox21_300800