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Chemistry

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Also known as: 139-44-6, Hydrogenated castor oil, Trihydroxystearin, Glyceryl tris(12-hydroxystearate), Thixin r, 8001-78-3

Molecular Formula

C₅₇H₁₁₀O₉

Molecular Weight

939.5 g/mol

InChI Key

WCOXQTXVACYMLM-UHFFFAOYSA-N

FDA UNII

06YD7896S3

Hydrogenated Castor Oil is a wax-like hydrogenated derivative of castor oil. Hydrogenated castor oil has many industrial applications.

1 2D Structure

Thixin R

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2,3-bis(12-hydroxyoctadecanoyloxy)propyl 12-hydroxyoctadecanoate

2.1.2 InChI

InChI=1S/C57H110O9/c1-4-7-10-31-40-51(58)43-34-25-19-13-16-22-28-37-46-55(61)64-49-54(66-57(63)48-39-30-24-18-15-21-27-36-45-53(60)42-33-12-9-6-3)50-65-56(62)47-38-29-23-17-14-20-26-35-44-52(59)41-32-11-8-5-2/h51-54,58-60H,4-50H2,1-3H3

2.1.3 InChI Key

WCOXQTXVACYMLM-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCCCCC(CCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC(CCCCCC)O)OC(=O)CCCCCCCCCCC(CCCCCC)O)O

2.2 Other Identifiers

2.2.1 UNII

06YD7896S3

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 139-44-6

2. Hydrogenated Castor Oil

3. Trihydroxystearin

4. Glyceryl Tris(12-hydroxystearate)

5. Thixin R

6. 8001-78-3

7. Thixcin R

8. 1,2,3-propanetriyl Tris(12-hydroxyoctadecanoate)

9. Glycerol Tris(12-hydroxystearate)

10. Tri-12-hydroxystearin

11. Thixcin E

12. Trixcin R

13. Tixcin R

14. 2,3-bis(12-hydroxyoctadecanoyloxy)propyl 12-hydroxyoctadecanoate

15. 12-hydroxystearic Acid Triglyceride

16. Octadecanoic Acid, 12-hydroxy-, Triester With Glycerol

17. 12-hydroxyoctadecanoic Acid, Glyceryl Ester

18. 12-hydroxyoctadecanoic Acid, Triester With Glycerol

19. Glyceryl Tri(12-hydroxystearate)

20. Nsc2389

21. Nsc-2389

22. 06yd7896s3

23. Octadecanoic Acid, 12-hydroxy-, 1,2,3-propanetriyl Ester

24. Castorwax

25. Castorwax Nf

26. Rice Syn Wax

27. Octadecanoic Acid, 12-hydroxy-, 1,1',1''-(1,2,3-propanetriyl) Ester

28. Unitina Hr

29. Castorwax Mp-70

30. Castorwax Mp-80

31. Castor Oil Hydrogenated

32. Caswell No. 486a

33. Olio Di Ricino Idrogenato

34. Unii-zf94ap8mey

35. Castor Oil, Hydrogenated [nf]

36. Unii-06yd7896s3

37. Nsc 2389

38. Einecs 205-364-6

39. Einecs 232-292-2

40. Olio Di Ricino Idrogenato [italian]

41. Epa Pesticide Chemical Code 031604

42. Cutina Bw

43. Ai3-19740

44. Zf94ap8mey

45. Ec 232-292-2

46. Kao Wax 85

47. Schembl296177

48. Trihydroxystearin [ii]

49. Trihydroxystearin [inci]

50. Dtxsid3051701

51. K 3 (wax)

52. Octadecanoic Acid, Triester With Glycerol

53. 1,2,3-propanetriol Tri(12-hydroxystearate)

54. Ft-0623513

55. Propane-1,2,3-triyltris(12-hydroxyoctadecanoate)

56. Propane-1,2,3-triyl Tris(12-hydroxyoctadecanoate)

57. W-108215

58. 12-hydroxyoctadecanoic Acid, 1,2,3-propanetriyl Ester

59. Octadecanoic Acid, 12-hydroxy-, 1,2, 3-propanetriyl Ester

60. 2,3-bis((12-hydroxyoctadecanoyl)oxy)propyl 12-hydroxyoctadecanoate

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₅₇H₁₁₀O₉
Molecular Weight	939.5 g/mol
XLogP3	19.5
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	56
Exact Mass	938.81498508 g/mol
Monoisotopic Mass	938.81498508 g/mol
Topological Polar Surface Area	140 Å²
Heavy Atom Count	66
Formal Charge	0
Complexity	983
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1