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Overview of CAS 90-00-6

Client Email Product
4CH-024566
PharmaCompass
  • Chemistry
4CH-024566
Also known as: 90-00-6, O-ethylphenol, Phlorol, Phenol, 2-ethyl-, Phenol, o-ethyl-, Ethylphenol
Molecular Formula
C8H10O
Molecular Weight
122.167  g/mol
InChI Key
IXQGCWUGDFDQMF-UHFFFAOYSA-N
FDA UNII
355O0P4JU7

1 2D Structure

4CH-024566

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-ethylphenol
2.1.2 InChI
InChI=1S/C8H10O/c1-2-7-5-3-4-6-8(7)9/h3-6,9H,2H2,1H3
2.1.3 InChI Key
IXQGCWUGDFDQMF-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCC1=CC=CC=C1O
2.2 Other Identifiers
2.2.1 UNII
355O0P4JU7
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 90-00-6

2. O-ethylphenol

3. Phlorol

4. Phenol, 2-ethyl-

5. Phenol, O-ethyl-

6. Ethylphenol

7. 1-ethyl-2-hydroxybenzene

8. 1-hydroxy-2-ethylbenzene

9. Phenol, Ethyl-

10. Florol

11. O-ethyl Phenol

12. Florol [czech]

13. Ortho-ethylphenol

14. 2-ethyl-phenol

15. Nsc 10112

16. Benzene, 1-ethyl-2-hydroxy-

17. Ccris 6038

18. Hsdb 5267

19. Einecs 201-958-4

20. Brn 1099397

21. 25429-37-2

22. Chebi:34275

23. Ixqgcwugdfdqmf-uhfffaoysa-n

24. Mfcd00002249

25. Dsstox_cid_2479

26. Dsstox_rid_76599

27. Dsstox_gsid_22479

28. Cas-90-00-6

29. Unii-355o0p4ju7

30. 2-ethyl Phenol

31. O-hydroxyethylbenzene

32. Pubchem3871

33. 2-ethylphenol, 99%

34. Ac1l1nrs

35. Ac1q2ubr

36. Acmc-1che2

37. 1-ethyl-2-hydroxy-benzen

38. Ac1q2t5v

39. Schembl51108

40. 4-06-00-03011 (beilstein Handbook Reference)

41. Ksc205o9n

42. Bidd:er0661

43. Chembl321029

44. Sgcut00114

45. Dtxsid1022479

46. Ctk1a5796

47. Molport-001-791-601

48. 355o0p4ju7

49. Nsc10112

50. Str06133

51. To_000008

52. Zinc1706027

53. Tox21_202327

54. Tox21_302885

55. Anw-39417

56. Nsc-10112

57. Akos000119353

58. Ls-1904

59. Mcule-1491819809

60. Rp19476

61. Rtr-033038

62. Ks-00000x95

63. Ncgc00091780-01

64. Ncgc00091780-02

65. Ncgc00256439-01

66. Ncgc00259876-01

67. 2-ethylphenol 100 Microg/ml In Methanol

68. Aj-30612

69. Ak114273

70. An-17756

71. An-24182

72. Cj-06729

73. Cj-28837

74. Kb-23780

75. Sc-46756

76. U021

77. Db-021047

78. Tr-033038

79. 4ch-024566

80. E0160

81. Ft-0612290

82. St24040555

83. St51054295

84. A15993

85. C14385

86. 47721-ep2305625a1

87. 47721-ep2311811a1

88. 2-ethylphenol, Pestanal(r), Analytical Standard

89. J-509333

90. Z1262253000

91. Unii-c27y543kva Component Ixqgcwugdfdqmf-uhfffaoysa-n

92. Inchi=1/c8h10o/c1-2-7-5-3-4-6-8(7)9/h3-6,9h,2h2,1h

93. Jz1

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 122.167 g/mol
Molecular Formula C8H10O
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass122.073 g/mol
Monoisotopic Mass122.073 g/mol
Topological Polar Surface Area20.2 A^2
Heavy Atom Count9
Formal Charge0
Complexity80.6
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Pharmacology and Biochemistry
4.1 Metabolism/Metabolites

ANALYSES OF BLOOD & URINE OF 4 FEMALES OCCUPATIONALLY EXPOSED TO MIXT OF XYLENES & ETHYLBENZENE IN A HISTOLOGY LAB. APPROX 1.1-1.4% OF RETAINED ETHYLBENZENE WAS METABOLIZED TO 2-ETHYLPHENOL.

ANGERER J, LEHNERT G; INT ARCH OCCUP ENVIRON HEALTH 43 (2): 145 (1979)


3 LAB TECHNICIANS EXPOSED TO ETHYLBENZENE 42 PPM & 1 EXPOSED TO 34 PPM HAD AVG STEADY STATE BLOOD LEVELS OF 0.72 + OR - 0.11 MG/L. AMT DECR. METABOLITES IDENTIFIED INCL 2-ETHYLPHENOL.

HAGEMANN J, ANGERER J; KREBSGEFAEHRDUNG ARBEISPLATZ/ARBEITSMED KOLLOQ, BER JAHRESTAG DTSCH GES ARBEITSMED, 19TH; 421 (1979)


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