123-01-3

Chemistry

Chemistry

Also known as: 123-01-3, 1-phenyldodecane, Benzene, dodecyl-, N-dodecylbenzene, Phenyldodecane, Laurylbenzene

Molecular Formula

C₁₈H₃₀

Molecular Weight

246.4 g/mol

InChI Key

KWKXNDCHNDYVRT-UHFFFAOYSA-N

FDA UNII

A2AX003680

dodecylbenzene is a natural product found in Aloe vera with data available.

1 2D Structure

123-01-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

dodecylbenzene

2.1.2 InChI

InChI=1S/C18H30/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18/h11,13-14,16-17H,2-10,12,15H2,1H3

2.1.3 InChI Key

KWKXNDCHNDYVRT-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCCCCCCCCCCC1=CC=CC=C1

2.2 Other Identifiers

2.2.1 UNII

A2AX003680

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 123-01-3

2. 1-phenyldodecane

3. Benzene, Dodecyl-

4. N-dodecylbenzene

5. Phenyldodecane

6. Laurylbenzene

7. 25265-78-5

8. Dodecane, Phenyl-

9. Marlican

10. 1-dodecylbenzene

11. Dodecane, 1-phenyl-

12. Detergent Alkylate

13. Alkylate P 1

14. Phenyldodecan

15. Nalkylene 500

16. Alkane

17. Detergent Alkylate No. 2

18. Dodecylbenzene, Crude

19. Ucane Alkylate 12

20. 29986-57-0

21. Benzene, Mono-c10-14-alkyl Derivs.

22. Nsc 102805

23. Mfcd00008974

24. 68442-69-3

25. Nsc-4584

26. A2ax003680

27. Nsc-102805

28. Dsstox_cid_6994

29. Dsstox_rid_78276

30. Dsstox_gsid_26994

31. Wln: 12r

32. 1-dodecylbenzene; 1-phenyl-n-dodecane; 1-phenyldodecane

33. Phenyldodecan [german]

34. Dodecylbenzene (linear)

35. Cas-123-01-3

36. Ccris 2291

37. Hsdb 937

38. Dodecylbenzene, Hard Type

39. Einecs 204-591-8

40. Brn 1909107

41. Alkylbenzene

42. Dodecyl-benzene

43. Ai3-00435

44. Dodecane,phenyl-

45. Unii-a2ax003680

46. Einecs 270-486-9

47. Linear Monoalkyl (c10-c14) Benzene

48. 1-phenyldodecane, 97%

49. 4-05-00-01200 (beilstein Handbook Reference)

50. Benzene,tetrapropylene-

51. Chembl3187866

52. Dtxsid7026994

53. Nsc4584

54. Dodecylbenzene, Mixture Of Isomers

55. Bcp26389

56. Zinc1679987

57. Tox21_201344

58. Tox21_303061

59. Nsc102805

60. 1-phenyldodecane, Analytical Standard

61. Benzene, C10-c14 Alkyl Derivatives

62. Akos009031474

63. Ncgc00164039-01

64. Ncgc00164039-02

65. Ncgc00256949-01

66. Ncgc00258896-01

67. Ms-20701

68. Db-041701

69. Cs-0016030

70. D0988

71. D1074

72. Ft-0631711

73. A877647

74. Q414469

75. Dodecylbenzene (hard Type) (mixture Of Branched Chain Isomers)

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₈H₃₀
Molecular Weight	246.4 g/mol
XLogP3	8.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	11
Exact Mass	246.234750957 g/mol
Monoisotopic Mass	246.234750957 g/mol
Topological Polar Surface Area	0 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	155
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

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