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Ethoxybenzene manufacturers and suppliers on PharmaCompass

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  • Chemistry
Ethoxybenzene
Also known as: Ethoxybenzene, 103-73-1, Benzene, ethoxy-, Ethyl phenyl ether, Phenyl ethyl ether, Phenetol
Molecular Formula
C8H10O
Molecular Weight
122.16  g/mol
InChI Key
DLRJIFUOBPOJNS-UHFFFAOYSA-N
FDA UNII
RB8LU2C57F

phenyl ethyl alcohol is a natural product found in Scutellaria barbata with data available.
1 2D Structure

Ethoxybenzene

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
ethoxybenzene
2.1.2 InChI
InChI=1S/C8H10O/c1-2-9-8-6-4-3-5-7-8/h3-7H,2H2,1H3
2.1.3 InChI Key
DLRJIFUOBPOJNS-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCOC1=CC=CC=C1
2.2 Other Identifiers
2.2.1 UNII
RB8LU2C57F
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Ethoxybenzene

2. Ethyl Phenyl Ether

2.3.2 Depositor-Supplied Synonyms

1. Ethoxybenzene

2. 103-73-1

3. Benzene, Ethoxy-

4. Ethyl Phenyl Ether

5. Phenyl Ethyl Ether

6. Phenetol

7. Benzene, Ethoxy

8. Phenoxyethane

9. Nsc 406706

10. Ether, Ethyl Phenyl-

11. Nsc-406706

12. Rb8lu2c57f

13. Chebi:67129

14. Nsc406706

15. A Phenoxyethane

16. Ether, Ethyl Phenyl

17. Phenylcthylether

18. Ethoxybenzene; Ethyl Phenyl Ether; Nsc 406706; Phenetol; Phenoxyethane; Phenyl Ethyl Ether

19. Hsdb 112

20. Einecs 203-139-7

21. Mfcd00009090

22. Unii-rb8lu2c57f

23. Ethoxy-benzene

24. Methyl Anisole

25. Ai3-05616

26. 1-ethoxybenzene

27. Ethoxybenzene, 99%

28. Phenetole [mi]

29. Phenetole [hsdb]

30. Ec 203-139-7

31. Wln: 2or

32. Schembl18492

33. Chembl499585

34. Dtxsid7059278

35. Zinc1599383

36. Stl282470

37. Akos000120160

38. Pb47848

39. Ls-13425

40. Nsc406706nsc 406706

41. Cs-0017190

42. E0043

43. Ft-0656867

44. D78866

45. A800791

46. Q419340

47. J-001025

48. F1908-0060

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 122.16 g/mol
Molecular Formula C8H10O
XLogP32.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass122.073164938 g/mol
Monoisotopic Mass122.073164938 g/mol
Topological Polar Surface Area9.2 Ų
Heavy Atom Count9
Formal Charge0
Complexity65
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 Absorption, Distribution and Excretion

... EXCRETED AS GLUCURONIDE & ETHEREAL SULFATE.

Clayton, G. D. and F. E. Clayton (eds.). Patty's Industrial Hygiene and Toxicology: Volume 2A, 2B, 2C: Toxicology. 3rd ed. New York: John Wiley Sons, 1981-1982., p. 2525


4.2 Metabolism/Metabolites

... PHENETOLE, LIKE ANISOLE, IS HYDROXYLATED IN PARA POSITION & EXCRETED AS GLUCURONIDE & ETHEREAL SULFATE.

Clayton, G. D. and F. E. Clayton (eds.). Patty's Industrial Hygiene and Toxicology: Volume 2A, 2B, 2C: Toxicology. 3rd ed. New York: John Wiley Sons, 1981-1982., p. 2525


Wild type, mutant, and recombinant bacterial strains capable of oxidizing aromatic hydrocarbons were screened for their ability to oxidize anisole, and phenetole. Toluene induced cells of Pseudomonas putida F39/D transformed anisole to a compound tentatively identified as cis-1,2-dihydroxy-3-methoxycyclohexa-3,5-diene, 2-methoxyphenol, catechol, and trace amounts of phenol while phenetole was converted primarily to cis-1,2-dihydroxy-3-ethoxycyclohexa-3,5-diene and 2-ethoxyphenol. Induced cells of Pseudomonas sp. NCIB 9816/11 and Beijerinckia sp. B8/36 transformed anisole to phenol, and phenetole to phenol and ethenyloxybenzene. Toluene induced cells of P. putida BG1 converted anisole to phenol but did not oxidize phenetole. In contrast, toluene induced cells of P. mendocina KRl, which oxidize toluene via monooxygenation at the para position, transformed anisole to 4-methoxyphenol, and phenetole to 2-, 3-and 4-ethoxyphenol. The involvement of toluene and naphthalene dioxygenases in the reactions catalyzed by strains F39/D and NCIB 9816/11, respectively, was confirmed with recombinant E. coli strains expressing the cloned dioxygenase genes. The results show that the oxygenases from different Pseudomonas strains oxidize anisole and phenetole to different hydroxylated products.

Resnick SM, Gibson DT; Biodegradation 4 (3): 195-203 (1993)


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