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Overview

Client Email Product
123-01-3
PharmaCompass
  • Chemistry
123-01-3
Also known as: 1-phenyldodecane, 123-01-3, Benzene, dodecyl-, N-dodecylbenzene, Laurylbenzene, Phenyldodecane
Molecular Formula
C18H30
Molecular Weight
246.438  g/mol
InChI Key
KWKXNDCHNDYVRT-UHFFFAOYSA-N
FDA UNII
A2AX003680

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. 1-phenyldodecane

2. 123-01-3

3. Benzene, Dodecyl-

4. N-dodecylbenzene

5. Laurylbenzene

6. Phenyldodecane

7. Marlican

8. Dodecane, 1-phenyl-

9. Detergent Alkylate

10. Alkylate P 1

11. Phenyldodecan

12. Nalkylene 500

13. Alkane

14. 25265-78-5

15. Dodecane, Phenyl-

16. Detergent Alkylate No. 2

17. Dodecylbenzene, Crude

18. 1-dodecylbenzene

19. Ucane Alkylate 12

20. Phenyldodecan [german]

21. Dodecylbenzene (linear)

22. Mfcd00008974

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

24. Nsc 102805

25. Ccris 2291

26. Hsdb 937

27. Unii-a2ax003680

28. 1-phenyldodecane, 97%

29. Einecs 204-591-8

30. Brn 1909107

31. Ai3-00435

32. Kwkxndchndyvrt-uhfffaoysa-n

33. A2ax003680

34. 29986-57-0

35. 68442-69-3

36. Dsstox_cid_6994

37. Dsstox_rid_78276

38. Dsstox_gsid_26994

39. Wln: 12r

40. Cas-123-01-3

41. Alkylbenzene

42. Dodecyl-benzene

43. Dodecane,phenyl-

44. Einecs 270-486-9

45. Linear Monoalkyl (c10-c14) Benzene

46. Dodecyl Benzene,linear

47. N-dodecyl Benzene

48. Dodecylbenzene, Hard Type

49. Dodecylbenzene, Tech

50. Ac1l1l7g

51. Acmc-1bs92

52. 4-05-00-01200 (beilstein Handbook Reference)

53. Dodecane, 1-phenyl- (8ci)

54. Chembl3187866

55. Dtxsid7026994

56. Ctk0h5794

57. Nsc4584

58. Dodecylbenzene, Mixture Of Isomers

59. Bcp26389

60. Ks-000016ut

61. Nsc-4584

62. Zinc1679987

63. Zx-ah014208

64. Tox21_201344

65. Tox21_303061

66. 2016ab

67. Anw-18090

68. Ls-674

69. Nsc102805

70. 1-phenyldodecane, Analytical Standard

71. Benzene, C10-c14 Alkyl Derivatives

72. Akos009031474

73. Fr-2627

74. Nsc-102805

75. Rtr-003653

76. Tra0041264

77. Aba-5855406

78. Acm25265785

79. Acm29986570

80. Ncgc00164039-01

81. Ncgc00164039-02

82. Ncgc00256949-01

83. Ncgc00258896-01

84. An-22897

85. Cc-27355

86. K975

87. Sc-62314

88. Ax8126795

89. Db-041701

90. Tr-003653

91. D0988

92. Ft-0631711

93. St24030408

94. Ks-00001524

95. Q-9251

96. C-28186

97. Dodecylbenzene (alkylbenzene (1081-77-2))

98. Dodecylbenzene(hardtype)(mixtureofbranchedchainisomers)

99. I01-10161

100. I14-58342

101. I14-61939

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

103. Dodecylbenzene (soft Type) (mixture Of Linear Chain Isomers)

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 246.438 g/mol
Molecular Formula C18H30
XLogP38.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count11
Exact Mass246.235 g/mol
Monoisotopic Mass246.235 g/mol
Topological Polar Surface Area0 A^2
Heavy Atom Count18
Formal Charge0
Complexity155
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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