Squalane

Synopsis, Chemistry

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Also known as: 111-01-3, 2,6,10,15,19,23-hexamethyltetracosane, Perhydrosqualene, Dodecahydrosqualene, Cosbiol, Hexamethyltetracosane

Molecular Formula

C₃₀H₆₂

Molecular Weight

422.8 g/mol

InChI Key

PRAKJMSDJKAYCZ-UHFFFAOYSA-N

FDA UNII

GW89575KF9

1 2D Structure

Squalane

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2,6,10,15,19,23-hexamethyltetracosane

2.1.2 InChI

InChI=1S/C30H62/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h25-30H,9-24H2,1-8H3

2.1.3 InChI Key

PRAKJMSDJKAYCZ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)C

2.2 Other Identifiers

2.2.1 UNII

GW89575KF9

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Perhydrosqualene

2.3.2 Depositor-Supplied Synonyms

1. 111-01-3

2. 2,6,10,15,19,23-hexamethyltetracosane

3. Perhydrosqualene

4. Dodecahydrosqualene

5. Cosbiol

6. Hexamethyltetracosane

7. Vitabiosol

8. Spinacane

9. Robane

10. Tetracosane, 2,6,10,15,19,23-hexamethyl-

11. Squalan

12. Nsc 6851

13. Squalane [nf]

14. Pripure 3759

15. Nsc-6851

16. Dermane

17. Gw89575kf9

18. Squalane (nf)

19. Ncgc00165976-01

20. Dsstox_cid_26513

21. Dsstox_rid_81682

22. Dsstox_gsid_46513

23. Hexamethyl Tetracosane

24. Caswell No. 482a

25. Cas-111-01-3

26. Einecs 203-825-6

27. Epa Pesticide Chemical Code 045503

28. Brn 0776019

29. Unii-gw89575kf9

30. Ai3-36494

31. Ccris 9473

32. Squalane N

33. Mfcd00008953

34. Squalane, 99%

35. Squalane [inci]

36. Squalane [ii]

37. Squalane [mi]

38. Squalane [vandf]

39. Squalane [mart.]

40. Squalane [usp-rs]

41. Squalane [who-dd]

42. Ec 203-825-6

43. Squalane, Analytical Standard

44. 4-01-00-00593 (beilstein Handbook Reference)

45. Squalane [ep Impurity]

46. Squalane [ep Monograph]

47. Chembl1552157

48. Dtxsid0046513

49. Nsc6851

50. Polysphere 3000 Sp (salt/mix)

51. Hy-n7113

52. Tox21_112277

53. S5407

54. Squalane, Technical, >=95% (gc)

55. Akos016012911

56. Tox21_112277_1

57. Ccg-268918

58. Cs-w014458

59. Db11420

60. Squalane 100 Microg/ml In Acetonitrile

61. 2,10,15,19,23-hexamethyltetracosane

62. Ncgc00165976-02

63. As-63438

64. Db-040948

65. Tetracosane,6,10,15,19,23-hexamethyl-

66. Ft-0631621

67. H0096

68. D05915

69. H12051

70. A894816

71. Q380055

72. Sr-01000944750

73. Sr-01000944750-1

74. W-109407

75. Squalane, European Pharmacopoeia (ep) Reference Standard

76. Squalane, United States Pharmacopeia (usp) Reference Standard

77. Squalane, Pharmaceutical Secondary Standard; Certified Reference Material

78. Dh7

79. Dodecahydrosqualene; Hexamethyltetracosane; Squalane; Tetracosane, 2,6,10,15,19,23-hexamethyl-, (all-e)-

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₃₀H₆₂
Molecular Weight	422.8 g/mol
XLogP3	14.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	21
Exact Mass	422.485151978 g/mol
Monoisotopic Mass	422.485151978 g/mol
Topological Polar Surface Area	0 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	308
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1