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Chemistry

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Also known as: Diethyl decanedioate, 110-40-7, Decanedioic acid, diethyl ester, Ethyl sebacate, Bisoflex des, Sebacic acid, diethyl ester
Molecular Formula
C14H26O4
Molecular Weight
258.35  g/mol
InChI Key
ONKUXPIBXRRIDU-UHFFFAOYSA-N
FDA UNII
I41B9FJK6V

Diethyl Sebacate
1 2D Structure

Diethyl Sebacate

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
diethyl decanedioate
2.1.2 InChI
InChI=1S/C14H26O4/c1-3-17-13(15)11-9-7-5-6-8-10-12-14(16)18-4-2/h3-12H2,1-2H3
2.1.3 InChI Key
ONKUXPIBXRRIDU-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCOC(=O)CCCCCCCCC(=O)OCC
2.2 Other Identifiers
2.2.1 UNII
I41B9FJK6V
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Diethyl Decanedioate

2. Ethyl Sebacate

3. Sebacic Acid Diethyl Ester

2.3.2 Depositor-Supplied Synonyms

1. Diethyl Decanedioate

2. 110-40-7

3. Decanedioic Acid, Diethyl Ester

4. Ethyl Sebacate

5. Bisoflex Des

6. Sebacic Acid, Diethyl Ester

7. Diethyl 1,10-decanedioate

8. Sebacic Acid Diethyl Ester

9. Ethyl Sebacate (van)

10. Fema No. 2376

11. Diethyl 1,8-octanedicarboxylate

12. Nsc 8911

13. Decanedioic Acid, 1,10-diethyl Ester

14. I41b9fjk6v

15. Nsc-8911

16. Decanedioic Acid,diethyl Ester

17. Decanedioic Acid Diethyl Ester

18. Einecs 203-764-5

19. Unii-i41b9fjk6v

20. 1,10-diethyl Decanedioate

21. Brn 1790779

22. Ai3-01970

23. Diethyl Sebecate

24. Sebacic Acid Diethyl

25. Mfcd00009219

26. Sebacinsaurediathylester

27. Diethyl Sebacate (nf)

28. Diethyl Sebacate, 98%

29. Dsstox_cid_1915

30. Dsstox_rid_76399

31. Dsstox_gsid_21915

32. Schembl33870

33. Wln: 2ov8vo2

34. 4-02-00-02080 (beilstein Handbook Reference)

35. Diethyl Sebacate [ii]

36. Diethyl Sebacate [fcc]

37. Diethyl Sebacate [fhfi]

38. Diethyl Sebacate [inci]

39. Chembl1884461

40. Dtxsid0021915

41. Ethyl Sebacate [who-dd]

42. Fema 2376

43. Nsc8911

44. Chebi:172099

45. Diethyl Sebacate [usp-rs]

46. Zinc3875772

47. Tox21_301167

48. Diethyl Sebacate, Analytical Standard

49. Stl280489

50. Akos015915696

51. Cs-w010159

52. Diethyl Sebacate, >=98%, Fcc, Fg

53. Sebacic Acid Diethyl Ester [mi]

54. Ncgc00164103-01

55. Ncgc00164103-02

56. Ncgc00255065-01

57. Cas-110-40-7

58. Decanedioic Acid 1,10-diethyl Ester

59. Ft-0686715

60. S0024

61. En300-83817

62. D10682

63. E82985

64. W-108687

65. Q27280379

66. Decanedioic Acid 1,10-diethyl Ester, Nsc 8911, Sebacic Acid Diethyl Ester

67. Diethyl Sebacate, United States Pharmacopeia (usp) Reference Standard

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 258.35 g/mol
Molecular Formula C14H26O4
XLogP33.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count13
Exact Mass258.18310931 g/mol
Monoisotopic Mass258.18310931 g/mol
Topological Polar Surface Area52.6 Ų
Heavy Atom Count18
Formal Charge0
Complexity202
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

API Reference Price

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01-Apr-2022
15-Jul-2024
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