2-Octyl-1-Dodecanol

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Also known as: 2-octyldodecan-1-ol, 5333-42-6, Octyldodecanol, 2-octyldodecanol, 1-dodecanol, 2-octyl-, Standamul g

Molecular Formula

C₂₀H₄₂O

Molecular Weight

298.5 g/mol

InChI Key

LEACJMVNYZDSKR-UHFFFAOYSA-N

FDA UNII

461N1O614Y

1 2D Structure

2-Octyl-1-Dodecanol

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-octyldodecan-1-ol

2.1.2 InChI

InChI=1S/C20H42O/c1-3-5-7-9-11-12-14-16-18-20(19-21)17-15-13-10-8-6-4-2/h20-21H,3-19H2,1-2H3

2.1.3 InChI Key

LEACJMVNYZDSKR-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCCCCCCCCC(CCCCCCCC)CO

2.2 Other Identifiers

2.2.1 UNII

461N1O614Y

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 2-octyldodecanol

2. Octyl Dodecanol

2.3.2 Depositor-Supplied Synonyms

1. 2-octyldodecan-1-ol

2. 5333-42-6

3. Octyldodecanol

4. 2-octyldodecanol

5. 1-dodecanol, 2-octyl-

6. Standamul G

7. 2-octyl Dodecanol

8. Eutanol G

9. 2-octyldodecyl Alcohol

10. Isofol 20

11. Kalcohl 200g

12. Rilanit G 20

13. Exxal 20

14. Octyl Dodecanol

15. 2-n-octyl-1-dodecanol

16. Nsc 2405

17. Nsc-2405

18. 461n1o614y

19. Ncgc00166213-01

20. Dsstox_cid_16288

21. Dsstox_rid_79277

22. Dsstox_gsid_36288

23. Kalcohl 200gd

24. 2-octildodecanol

25. Guerbet C20

26. Risonol 20sp

27. Cas-5333-42-6

28. Octyldodecanol [nf]

29. Jarcol I 20

30. Fine Oxocol 2000

31. 2-octyldodecane-1-ol

32. Einecs 226-242-9

33. Brn 1763479

34. Ai3-19966

35. Unii-461n1o614y

36. Ohv 180

37. 2-octyl-dodecanol

38. Michel Xo-150-20

39. Ec 226-242-9

40. Octyldodecanol [ii]

41. Octyldodecanol [mi]

42. Schembl4873

43. Octyldodecanol [inci]

44. 3-01-00-01844 (beilstein Handbook Reference)

45. 2-octyl-1-dodecanol, 97%

46. Octyldodecanol [mart.]

47. Octyldodecanol [usp-rs]

48. Octyldodecanol [who-dd]

49. Chembl1572050

50. Dtxsid3036288

51. Nsc2405

52. (+/-)-2-octyldodecanol

53. 2-octyldodecan-1-ol, Octyldodecanol

54. Tox21_112351

55. Tox21_302294

56. Mfcd01310428

57. Octyldodecanol [ep Monograph]

58. 2-octyldodecanol, (+/-)-

59. Akos015912966

60. Tox21_112351_1

61. Cs-w021736

62. Db14134

63. Ds-6274

64. Ncgc00166213-02

65. Ncgc00255681-01

66. Bp-30229

67. Ft-0699733

68. O0429

69. C20338

70. D77924

71. A870757

72. Sr-01000944811

73. Sr-01000944811-1

74. Q27258886

75. Octyldodecanol, European Pharmacopoeia (ep) Reference Standard

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

77. Octyldodecanol, Pharmaceutical Secondary Standard; Certified Reference Material

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₄₂O
Molecular Weight	298.5 g/mol
XLogP3	9.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	17
Exact Mass	298.323565959 g/mol
Monoisotopic Mass	298.323565959 g/mol
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	179
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1