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ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: Hexadecyl palmitate, 540-10-3, Palmityl palmitate, Hexadecyl hexadecanoate, Cetin, Hexadecanoic acid, hexadecyl ester

Molecular Formula

C₃₂H₆₄O₂

Molecular Weight

480.8 g/mol

InChI Key

PXDJXZJSCPSGGI-UHFFFAOYSA-N

FDA UNII

5ZA2S6B08X

cetyl palmitate is a natural product found in Lobophytum with data available.

1 2D Structure

Cetyl Palmitate API

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

hexadecyl hexadecanoate

2.1.2 InChI

InChI=1S/C32H64O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34-32(33)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-31H2,1-2H3

2.1.3 InChI Key

PXDJXZJSCPSGGI-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC

2.2 Other Identifiers

2.2.1 UNII

5ZA2S6B08X

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Palmitic Acid, Hexadecyl Ester

2.3.2 Depositor-Supplied Synonyms

1. Hexadecyl Palmitate

2. 540-10-3

3. Palmityl Palmitate

4. Hexadecyl Hexadecanoate

5. Cetin

6. Hexadecanoic Acid, Hexadecyl Ester

7. Hexadecanoic Acid Hexadecyl Ester

8. Standamul 1616

9. Hexadecanyl Hexadecanoate

10. N-hexadecyl Hexadecanoate

11. Palmitic Acid, Hexadecyl Ester

12. Cetyl Palmitate [nf]

13. Palmitic Acid, Cetyl Ester

14. 5za2s6b08x

15. Chebi:75584

16. We(16:0/16:0)

17. Cetyl Palmitate (nf)

18. Fatty Acids, C16-18, C12-18-alkyl Esters

19. 95912-87-1

20. Palmitic Acid Palmityl Ester

21. Palmitic Acid Hexadecyl Ester

22. N-hexadecyl Palmitate

23. Einecs 208-736-6

24. Mfcd00053739

25. Brn 1805188

26. Unii-5za2s6b08x

27. Schercemol Cp

28. Crodamol Cp

29. Precifac Ato

30. Rewowax Cg

31. Starfol Cp

32. Cutina Cp

33. Palmitic Acid Cetyl

34. Einecs 309-375-8

35. Waxenol 815

36. Kessco 653

37. N-hexadecanyl Palmitate

38. Radia 7500

39. 1-hexadecyl Hexadecanoate

40. Schembl44487

41. Cetyl Palmitate [ii]

42. Cetyl Palmitate [mi]

43. Palmityl Palmitate, >=99%

44. Cetyl Palmitate [inci]

45. Palmatic Acid N-hexadecyl Ester

46. Cetyl Palmitate [vandf]

47. Cetyl Palmitate [mart.]

48. Chembl2106073

49. Dtxsid5047114

50. Not Available;hexadecyl Palmitate

51. Cetyl Palmitate [usp-rs]

52. Cetyl Palmitate [who-dd]

53. Zinc8437455

54. Einecs 306-083-2

55. Hexadecyl Ester Of Hexadecanoic Acid

56. Lmfa07010001

57. Akos015903369

58. Cetyl Palmitate [ep Monograph]

59. Cs-w011523

60. 100231-74-1

61. Ds-11394

62. Db-052456

63. Ft-0632345

64. P1077

65. D08888

66. D70209

67. Ec 306-083-2

68. A854487

69. Q409361

70. Cetyl Palmitate 15, European Pharmacopoeia (ep) Reference Standard

71. Cetyl Palmitate 95, European Pharmacopoeia (ep) Reference Standard

72. Cetyl Palmitate, United States Pharmacopeia (usp) Reference Standard

73. Cetyl Palmitate, Pharmaceutical Secondary Standard; Certified Reference Material

2.4 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₃₂H₆₄O₂
Molecular Weight	480.8 g/mol
XLogP3	15.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	30
Exact Mass	480.49063128 g/mol
Monoisotopic Mass	480.49063128 g/mol
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	379
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