Diethyl Pyrocarbonate

Synopsis, Chemistry

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Also known as: 1609-47-8, Diethyl dicarbonate, Diethyl oxydiformate, Baycovin, Diethylpyrocarbonate, Dicarbonic acid, diethyl ester

Molecular Formula

C₆H₁₀O₅

Molecular Weight

162.14 g/mol

InChI Key

FFYPMLJYZAEMQB-UHFFFAOYSA-N

FDA UNII

LMR3LZG146

Preservative for wines, soft drinks, and fruit juices and a gentle esterifying agent.

1 2D Structure

Diethyl Pyrocarbonate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

ethoxycarbonyl ethyl carbonate

2.1.2 InChI

InChI=1S/C6H10O5/c1-3-9-5(7)11-6(8)10-4-2/h3-4H2,1-2H3

2.1.3 InChI Key

FFYPMLJYZAEMQB-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCOC(=O)OC(=O)OCC

2.2 Other Identifiers

2.2.1 UNII

LMR3LZG146

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Anhydride, Ethoxyformic

2. Dicarbonate, Diethyl

3. Diethyl Dicarbonate

4. Diethyl Oxydiformate

5. Diethylpyrocarbonate

6. Ethoxyformic Anhydride

7. Oxydiformate, Diethyl

8. Pyrocarbonate, Diethyl

9. Pyrocarbonic Acid Diethyl Ester

2.3.2 Depositor-Supplied Synonyms

1. 1609-47-8

2. Diethyl Dicarbonate

3. Diethyl Oxydiformate

4. Baycovin

5. Diethylpyrocarbonate

6. Dicarbonic Acid, Diethyl Ester

7. Ethyl Pyrocarbonate

8. Pyrocarbonic Acid Diethyl Ester

9. Dicarbonic Acid Diethyl Ester

10. Diethyl Pyrocarbonic Acid

11. Piref

12. Oxydiformic Acid Diethyl Ester

13. Ethoxyformic Acid Anhydride

14. Diethylpyrokarbonat

15. Ethoxycarbonyl Ethyl Carbonate

16. Pyrocarbonate D'ethyle

17. Pyrokohlensaeure Diaethyl Ester

18. Diethylester Kyseliny Diuhlicite

19. Pyrocarbonic Acid, Diethyl Ester

20. Diethyl Ester Of Pyrocarbonic Acid

21. Formic Acid, Oxydi-, Diethyl Ester

22. Dicarbonic Acid, 1,3-diethyl Ester

23. Mfcd00009106

24. Lmr3lzg146

25. Chembl55517

26. Chebi:59051

27. Dkd

28. Dicarbonate, Diethyl

29. Oxydiformate, Diethyl

30. Pyrocarbonate, Diethyl

31. Anhydride, Ethoxyformic

32. Unii-lmr3lzg146

33. Diethylpyrokarbonat [czech]

34. Ccris 4920

35. Diethyldicarbonate

36. Pyrocarbonate D'ethyle [french]

37. Diethyl-pyrocarbonate

38. Einecs 216-542-8

39. Brn 0637031

40. Diethylester Kyseliny Diuhlicite [czech]

41. Pyrokohlensaeure Diaethyl Ester [german]

42. Pyrocarbonate D''ethyle

43. Depc (diethylpyrocarbonate)

44. Diethyl Pyrocarbonate, 97%

45. Dsstox_cid_30319

46. Dsstox_gsid_51764

47. Schembl15582

48. 4-03-00-00018 (beilstein Handbook Reference)

49. Dtxsid2051764

50. 3,3',5,5'-tetraethylbenzidine

51. Diethyl Pyrocarbonate [mi]

52. Diethyl Pyrocarbonate, 99% (nt)

53. Hy-d0846

54. Zinc8419346

55. Tox21_303976

56. Bdbm50035000

57. Dicarbonic Acid, C,c'-diethyl Ester

58. Akos015900388

59. Diethyl Pyrocarbonate, >=97% (nmr)

60. Ue-5908

61. Carbonic Acid, Ethoxycarbonyl Ethyl Ester

62. Ncgc00357200-01

63. As-10585

64. Carbonic Acid,ethyl Ester,anhydride

65. Cas-1609-47-8

66. Dicarbonic Acid C,c'-diethyl Ester

67. Cs-0014816

68. Ft-0657552

69. Diethylpyrocarbonate Hi-pu Grade 100g

70. Diethyl Pyrocarbonate, Purum, >=97.0% (nt)

71. H11295

72. 609d478

73. A810205

74. Q421385

75. J-200332

76. Diethyl Pyrocarbonate, Vetec(tm) Reagent Grade, >=97%

2.4 Create Date

2005-03-25

3 Chemical and Physical Properties

Molecular Formula	C₆H₁₀O₅
Molecular Weight	162.14 g/mol
XLogP3	1.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	162.05282342 g/mol
Monoisotopic Mass	162.05282342 g/mol
Topological Polar Surface Area	61.8 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	126
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