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Chemistry

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Also known as: Tetralin, 119-64-2, Benzocyclohexane, Tetrahydronaphthalene, Bacticin, Tetraline
Molecular Formula
C10H12
Molecular Weight
132.20  g/mol
InChI Key
CXWXQJXEFPUFDZ-UHFFFAOYSA-N
FDA UNII
FT6XMI58YQ

1,2,3,4-Tetrahydronaphthalene
1 2D Structure

1,2,3,4-Tetrahydronaphthalene

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1,2,3,4-tetrahydronaphthalene
2.1.2 InChI
InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2
2.1.3 InChI Key
CXWXQJXEFPUFDZ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CCC2=CC=CC=C2C1
2.2 Other Identifiers
2.2.1 UNII
FT6XMI58YQ
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Tetralin

2.3.2 Depositor-Supplied Synonyms

1. Tetralin

2. 119-64-2

3. Benzocyclohexane

4. Tetrahydronaphthalene

5. Bacticin

6. Tetraline

7. Tetranap

8. Naphthalene, 1,2,3,4-tetrahydro-

9. Tetralina

10. Naphthalene, Tetrahydro-

11. Naphthalene 1,2,3,4-tetrahydride

12. Tetralene

13. Nsc 77451

14. (c4-c5) Alkyltetrahydronaphthalenes

15. Ft6xmi58yq

16. Naphthalene, 1,2,3,4-tetrahydro-, C1-4-alkyl Derivs.

17. Chebi:35008

18. 1,2,3,4-tetrahydro-naphthalene

19. Nsc-77451

20. Dsstox_cid_6118

21. Dsstox_rid_78023

22. Dsstox_gsid_26118

23. 68412-24-8

24. Tetralina [polish]

25. Caswell No. 842a

26. Cas-119-64-2

27. Ccris 3564

28. Hsdb 127

29. Delta(sup 5,7,9)-naphthantriene

30. Einecs 204-340-2

31. Unii-ft6xmi58yq

32. 1,2,3,4-tetrahydronaphthalene, Reagent Grade, >=97%

33. Epa Pesticide Chemical Code 055901

34. Ai3-01257

35. Tetralin Solvent

36. Einecs 270-178-4

37. Mfcd00001733

38. Tetralin [hsdb]

39. Tetralin [mi]

40. Bmse000530

41. Tetralin [usp-rs]

42. Tetralin [who-dd]

43. Ec 204-340-2

44. Nciopen2_000650

45. 1,3,4-tetrahydronaphthalene

46. 1,2,3,4-tetrahydronapthalene

47. 5,6,7,8-tetrahydronaphthalene

48. Chembl1575635

49. Dtxsid1026118

50. Naphthalene 1,3,4-tetrahydride

51. Wln: L66 & Tj

52. 1,2,3,4 Tetrahyclronaphthalene

53. .delta.(5,7,9)-naphthantriene

54. .delta.(sup 5,9)-naphthantriene

55. Naphthalene-1,2,3,4-tetrahydride

56. Nsc77451

57. Zinc8437660

58. Tox21_201793

59. Tox21_303325

60. Stl264224

61. .delta.(sup 5,7,9)-naphthantriene

62. Akos000121383

63. Ncgc00091744-01

64. Ncgc00091744-02

65. Ncgc00256948-01

66. Ncgc00259342-01

67. Ft-0654145

68. T0107

69. T0713

70. 1,2,3,4-tetrahydronaphthalene, Tetralin, Thn

71. 1,2,3,4-tetrahydronaphthalene, Anhydrous, 99%

72. Q420416

73. 1,2,3,4-tetrahydronaphthalene, Analytical Standard

74. W-108503

75. 1,2,3,4-tetrahydronaphthalene, Reagentplus(r), 99%

76. F1908-0164

77. 1,2,3,4-tetrahydronaphthalene, Vetec(tm) Reagent Grade, 98%

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 132.20 g/mol
Molecular Formula C10H12
XLogP33.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass132.093900383 g/mol
Monoisotopic Mass132.093900383 g/mol
Topological Polar Surface Area0 Ų
Heavy Atom Count10
Formal Charge0
Complexity92.6
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 Absorption, Distribution and Excretion

ABSORBED VAPOR IS EXCRETED BY KIDNEYS AS ALPHA- AND BETA-TETRAHYDRONAPHTHOLS ANDTHEIR GLUCURONIDES ... .

Gosselin, R.E., R.P. Smith, H.C. Hodge. Clinical Toxicology of Commercial Products. 5th ed. Baltimore: Williams and Wilkins, 1984., p. II-153


RADIOACTIVE TETRALIN, WHEN ADMIN TO RABBIT, WAS EXCRETED IN URINE AS GLUCURONIDEAT 87-99% AND IN FECES AT 0.6-1.8% OF ORIGINAL DOSE. ... WAS ABSORBED BY MUSSEL BUT NOT METABOLIZED; ... UP TO 80% WAS RELEASED IN UNCHANGED FORM WHEN THE ORGANISM WAS TRANSFERRED TO FRESH SEAWATER.

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. 3242


When radioactive tetralin was fed to rabbits, 87-90% of the activity was excreted in the urine in 2 days and 0.5-3.7% on the third day. The feces contained only 0.6-1.8%. No radioactivity was found in the breath, and negligible amounts were retained in the tissues. About 90-99% of the dose was accounted for.

Hayes, W.J., Jr., E.R. Laws, Jr., (eds.). Handbook of Pesticide Toxicology. Volume 2. Classes of Pesticides. New York, NY: Academic Press, Inc., 1991., p. 643


4.2 Metabolism/Metabolites

(1-(14)C)-TETRALIN IS METABOLIZED IN RABBITS BY HYDROXYLATION OF ALICYCLIC RING TO YIELD CONJUGATES OF AC-ALPHA-TETRALOL (60% OF DOSE), AC-BETA-TETRALOL (20%) & TETRALIN-1,2-DIOL (2.5%), & HYDROXYLATION OF AROMATIC RING ... YIELDING AR-BETA-TETRALOL (5,6,7,8-TETRAHYDRO-2-NAPHTHOL, 0.1%).

Parke, D. V. The Biochemistry of Foreign Compounds. Oxford: Pergamon Press, 1968., p. 220


YIELDS 2-HYDROXYTETRALYLMERCAPTURIC ACID, 1,2,3,4-TETRAHYDRO-1-NAPHTHOL, 1,2,3,4-TETRAHYDRO-2-NAPHTHOL IN RABBIT. YIELDS 1,2,3,4-TETRAHYDRO-1,2-DIHYDROXYNAPHTHALENE, 5,6,7,8-TETRAHYDRO-2-NAPHTHOL IN RABBIT. /FROM TABLE/

Goodwin, B.L. Handbook of Intermediary Metabolism of Aromatic Compounds. New York: Wiley, 1976., p. T-10


In rabbits, the main urinary metabolite was the glucuronide of alpha-tetralol (52.4%). Other conjugated metabolites were beta-tetralol (25.3%), 4-hydroxy-alpha-tetralone (6.1%), and cis-tetralin-1,2-diol (0.4%). Using rat liver homogenates, it was shown that conversion of tetralin to tetralol requires reduced nicotinamide adenine dinucleotide phosphate and that tetralin hydroperoxide is a probable intermediate. Further study confirmed this possibility and indicated that tetralin hydroxylation proceeds via a radical mechanism similar to that of lipid peroxidation.

Hayes, W.J., Jr., E.R. Laws, Jr., (eds.). Handbook of Pesticide Toxicology. Volume 2. Classes of Pesticides. New York, NY: Academic Press, Inc., 1991., p. 643


Tetralin, a component of fuels, solvents, and varnishes, is metabolized in male Fischer 344 rats to 1-tetralol, 2-tetralol, 2-hydroxyl-1-tetralone, 4-hydroxyl-1-tetralone, 1,2-tetralindiol, and 1,4-tetralindiol.

PMID:2926829 Serve MP et al; J Toxicol Environ Health 26 (3): 267-75 (1989)


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API | Excipient name

1,2,3,4-Tetrahydronaphthalene

Synonyms

Tetralin, 119-64-2, Benzocyclohexane, Tetrahydronaphthalene, Bacticin, Tetraline

Cas Number

119-64-2

Unique Ingredient Identifier (UNII)

FT6XMI58YQ

1,2,3,4-Tetrahydronaphthalene Manufacturers

A 1,2,3,4-Tetrahydronaphthalene manufacturer is defined as any person or entity involved in the manufacture, preparation, processing, compounding or propagation of 1,2,3,4-Tetrahydronaphthalene, including repackagers and relabelers. The FDA regulates 1,2,3,4-Tetrahydronaphthalene manufacturers to ensure that their products comply with relevant laws and regulations and are safe and effective to use. 1,2,3,4-Tetrahydronaphthalene API Manufacturers are required to adhere to Good Manufacturing Practices (GMP) to ensure that their products are consistently manufactured to meet established quality criteria.

1,2,3,4-Tetrahydronaphthalene Suppliers

A 1,2,3,4-Tetrahydronaphthalene supplier is an individual or a company that provides 1,2,3,4-Tetrahydronaphthalene active pharmaceutical ingredient (API) or 1,2,3,4-Tetrahydronaphthalene finished formulations upon request. The 1,2,3,4-Tetrahydronaphthalene suppliers may include 1,2,3,4-Tetrahydronaphthalene API manufacturers, exporters, distributors and traders.

1,2,3,4-Tetrahydronaphthalene GMP

1,2,3,4-Tetrahydronaphthalene Active pharmaceutical ingredient (API) is produced in GMP-certified manufacturing facility.

GMP stands for Good Manufacturing Practices, which is a system used in the pharmaceutical industry to make sure that goods are regularly produced and monitored in accordance with quality standards. The FDA’s current Good Manufacturing Practices requirements are referred to as cGMP or current GMP which indicates that the company follows the most recent GMP specifications. The World Health Organization (WHO) has its own set of GMP guidelines, called the WHO GMP. Different countries can also set their own guidelines for GMP like China (Chinese GMP) or the EU (EU GMP).

PharmaCompass offers a list of 1,2,3,4-Tetrahydronaphthalene GMP manufacturers, exporters & distributors, which can be sorted by USDMF, JDMF, KDMF, CEP (COS), WC, API price, and more, enabling you to easily find the right 1,2,3,4-Tetrahydronaphthalene GMP manufacturer or 1,2,3,4-Tetrahydronaphthalene GMP API supplier for your needs.

1,2,3,4-Tetrahydronaphthalene CoA

A 1,2,3,4-Tetrahydronaphthalene CoA (Certificate of Analysis) is a formal document that attests to 1,2,3,4-Tetrahydronaphthalene's compliance with 1,2,3,4-Tetrahydronaphthalene specifications and serves as a tool for batch-level quality control.

1,2,3,4-Tetrahydronaphthalene CoA mostly includes findings from lab analyses of a specific batch. For each 1,2,3,4-Tetrahydronaphthalene CoA document that a company creates, the USFDA specifies specific requirements, such as supplier information, material identification, transportation data, evidence of conformity and signature data.

1,2,3,4-Tetrahydronaphthalene may be tested according to a variety of international standards, such as European Pharmacopoeia (1,2,3,4-Tetrahydronaphthalene EP), 1,2,3,4-Tetrahydronaphthalene JP (Japanese Pharmacopeia) and the US Pharmacopoeia (1,2,3,4-Tetrahydronaphthalene USP).

Inform the supplier about your product requirements, specifying if you need a product with particular monograph like EP (Ph. Eur.), USP, JP, BP, or any other quality. In addition, clarify whether you need hydrochloride (HCl), anhydricum, base, micronisatum or a specific level of purity. To find reputable suppliers, utilize the filters and select those certified by GMP, FDA, or any other certification as per your requirement.
For your convenience, we have listed synonyms and CAS numbers to help you find the best supplier. The use of synonyms and CAS numbers can be helpful in identifying potential suppliers, but it is crucial to note that they might not always indicate the exact same product. It is important to confirm the product details with the supplier before making a purchase to ensure that it meets your requirements.
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