108-68-9 manufacturers and suppliers on PharmaCompass

108-68-9

108-68-9

Chemistry, 1 End Use API

Chemistry
1 End Use API

Manufacturers/Suppliers

1 Suppliers

1 Suppliers

Also known as: 108-68-9, 3,5-xylenol, Sym-m-xylenol, Phenol, 3,5-dimethyl-, 1,3,5-xylenol, 3,5-dmp

Molecular Formula

C₈H₁₀O

Molecular Weight

122.16 g/mol

InChI Key

TUAMRELNJMMDMT-UHFFFAOYSA-N

FDA UNII

ONA760G0WA

1 2D Structure

108-68-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3,5-dimethylphenol

2.1.2 InChI

InChI=1S/C8H10O/c1-6-3-7(2)5-8(9)4-6/h3-5,9H,1-2H3

2.1.3 InChI Key

TUAMRELNJMMDMT-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=CC(=CC(=C1)O)C

2.2 Other Identifiers

2.2.1 UNII

ONA760G0WA

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 3,5-xylenol

2. Xylenol

2.3.2 Depositor-Supplied Synonyms

1. 108-68-9

2. 3,5-xylenol

3. Sym-m-xylenol

4. Phenol, 3,5-dimethyl-

5. 1,3,5-xylenol

6. 3,5-dmp

7. 1-hydroxy-3,5-dimethylbenzene

8. 3,5-dimethyl Phenol

9. Nsc 9268

10. 3,5-dimethyl-phenol

11. Ona760g0wa

12. 1,5-dimethyl-3-hyperoxybenzene

13. Chebi:38572

14. Nsc-9268

15. Mfcd00002307

16. Dsstox_cid_5148

17. Dsstox_rid_77687

18. Dsstox_gsid_25148

19. 5-hydroxy-m-xylene

20. Xylenol 200

21. Cas-108-68-9

22. Ccris 724

23. Hsdb 5385

24. Benzene, 1,3-dimethyl-5-hydroxy-

25. Einecs 203-606-5

26. Unii-ona760g0wa

27. Ai3-01553

28. Sym.-m-xylenol

29. 3.5-dimethylphenol

30. 3, 5-dimethylphenol

31. 3,5-xylen-1-ol

32. Ec 203-606-5

33. Schembl28714

34. 3,5-dimethylphenol, 98%

35. Wln: Qr C1 E1

36. Xylenol, 3,5-

37. 1,3-dimethyl-5-hydroxybenzene

38. 1,5-dimethyl-3-hydroxybenzene

39. Chembl191740

40. 3,5-dimethylphenol, >=99%

41. Dtxsid1025148

42. Nsc9268

43. Xylenol 3,5-dimethylphenol

44. 3,5-dimethylphenol [hsdb]

45. Amy12552

46. Zinc1699887

47. Tox21_202181

48. Tox21_303372

49. Stl194292

50. 3,5-dimethylphenol(1,3,5-xylenol)

51. Akos000119350

52. Ac-7353

53. 3,5-dimethylphenol, Analytical Standard

54. Ncgc00091574-01

55. Ncgc00091574-02

56. Ncgc00257396-01

57. Ncgc00259730-01

58. Xylenol 3,5-dimethylphenol [mi]

59. As-13592

60. 3,5-dimethylphenol [usp Impurity]

61. Db-030898

62. Metacresol Impurity J [ep Impurity]

63. D0778

64. D1829

65. Ft-0614698

66. 3,5-dimethylphenol 100 Microg/ml In Methanol

67. D89931

68. Q-200352

69. 3,5-dimethylphenol, Pestanal(r), Analytical Standard

70. Q26841188

71. F0001-0176

72. Z955123752

73. Erh

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₈H₁₀O
Molecular Weight	122.16 g/mol
XLogP3	2.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	122.073164938 g/mol
Monoisotopic Mass	122.073164938 g/mol
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	80.6
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

4 Pharmacology and Biochemistry

4.1 Absorption, Distribution and Excretion

Associations between o-cresol, p-cresol, m-cresol, 2,4-xylenol, 2,5-xylenol, 3,4-xylenol, and 3,5-xylenol exposure levels and urinary phenol excretion were examined in the coke facility industry. The subjects consisted of 76 exposed workers employed in the tar distillation process and 34 controls. ... Urinary metabolite levels were corrected for specific gravity and creatinine. The time weighted average exposure concentrations in the breathing zones of the tar distillation workers were ... 0.02 to 0.04 mg/cu m for xylenols. ... The urinary xylenol levels of exposed workers ranged from 0.12 to 0.97 mg/l with specific gravity correction. In control urine samples, the specific gravity corrected xylenol concentrations ranged from 25 x 10(-3) to 43 x 10(-3) mg/l. Significant correlations were observed between the ambient levels and urinary concentrations of phenol, o-cresol, and the xylenols, with coefficients ranging from 0.45 to 0.82. The author concludes that the biological monitoring of urinary xylenols may be used as a means of measuring xylenol exposure in coke facility workers.

PMID:9352337 Bieniek G; International Archives of Occupational and Environmental Health 70 (5): 334-40 (1997)

4.2 Metabolism/Metabolites

3,5-DIMETHYLPHENOL (SYM-M-XYLENOL) YIELDS 3,5-DIMETHYLCATECHOL IN RABBITS. /FROM TABLE/

Goodwin, B.L. Handbook of Intermediary Metabolism of Aromatic Compounds. New York: Wiley, 1976., p. D-93

3,5-DIMETHYLPHENOL (SYM-M-XYLENOL) YIELDS 3,5-DIMETHYL PHENYL-BETA-DELTA-GLUCURONIDE, 3,5-DIMETHYLPHENYL SULFATE, & 2,6-DIMETHYLQUINOL IN RABBIT. /FROM TABLE/

Goodwin, B.L. Handbook of Intermediary Metabolism of Aromatic Compounds. New York: Wiley, 1976., p. D-93

3,5-DIMETHYLPHENOL (SYM-M-XYLENOL) YIELDS 3-HYDROXY-5-METHYLBENZOIC ACID IN PSEUDOMONAS. /FROM TABLE/

Goodwin, B.L. Handbook of Intermediary Metabolism of Aromatic Compounds. New York: Wiley, 1976., p. D-93

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CAS Number

108-68-9

End Use API

Metaxalone

About the Company

LUNA Chemicals Co.,Ltd. markets and manufactures world-class quality Active Pharmaceutical Ingredients an...

LUNA Chemicals Co.,Ltd. markets and manufactures world-class quality Active Pharmaceutical Ingredients and intermediate chemicals for generic pharmaceutical companies. Our Development Team focus strategically on the core therapeutic areas: cardiovascular, anti-depressant, allergic, healthcare and plant extraction. We provide technical support and efficient regulatory documentation for manufacturers, intellectual property(IP) was always carefully considered as well. We also provide excellent outsourcing services to customers and laboratory support.

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