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Chemistry

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Also known as: 80-46-6, 4-tert-pentylphenol, P-tert-pentylphenol, P-tert-amylphenol, 4-t-amylphenol, 4-(2-methylbutan-2-yl)phenol
Molecular Formula
C11H16O
Molecular Weight
164.24  g/mol
InChI Key
NRZWYNLTFLDQQX-UHFFFAOYSA-N
FDA UNII
6NP9LYK846

4-Tert-Amylphenol
tert-amylphenol is a natural product found in Paullinia cupana with data available.
1 2D Structure

4-Tert-Amylphenol

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-(2-methylbutan-2-yl)phenol
2.1.2 InChI
InChI=1S/C11H16O/c1-4-11(2,3)9-5-7-10(12)8-6-9/h5-8,12H,4H2,1-3H3
2.1.3 InChI Key
NRZWYNLTFLDQQX-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCC(C)(C)C1=CC=C(C=C1)O
2.2 Other Identifiers
2.2.1 UNII
6NP9LYK846
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 4-tert-pentyphenol

2. P-tert-amylphenol

3. P-tert-amylphenol, Monopotassium Salt

4. P-tert-amylphenol, Monosodium Salt

5. Para-tertiary-amyl-phenol

2.3.2 Depositor-Supplied Synonyms

1. 80-46-6

2. 4-tert-pentylphenol

3. P-tert-pentylphenol

4. P-tert-amylphenol

5. 4-t-amylphenol

6. 4-(2-methylbutan-2-yl)phenol

7. Pentaphen

8. 4-(1,1-dimethylpropyl)phenol

9. Phenol, 4-(1,1-dimethylpropyl)-

10. Amilphenol

11. Amilfenol

12. Ptap

13. Amyl Phenol 4t

14. Phenol, P-tert-pentyl-

15. Tert-amylphenol

16. P-(1,1-dimethylpropyl)phenol

17. Ucar Amyl Phenol 4t

18. P-t-pentylphenol

19. 4-(tert-pentyl)phenol

20. 2-methyl-2-p-hydroxyphenylbutane

21. 4-(1,1-dimethylpropyl)-1-phenol

22. 1-hydroxy-4-(1,1-dimethylpropyl)benzene

23. 4-t-pentylphenol

24. Phenol, P-(tert-pentyl)-

25. Mfcd00002369

26. Nsc 403672

27. 6np9lyk846

28. Chembl195693

29. Chebi:35096

30. Nsc-403672

31. Ncgc00091655-02

32. P-(.alpha.,.alpha.-dimethylpropyl)phenol

33. Dsstox_cid_1771

34. Phenol,1-dimethylpropyl)-

35. Dsstox_rid_76317

36. Dsstox_gsid_21771

37. Para-tert-amylphenol

38. Caswell No. 050

39. Wln: Qr D1x1&1&1

40. Cas-80-46-6

41. Ccris 4693

42. P-(tert-amyl)phenol

43. Hsdb 5236

44. Einecs 201-280-9

45. P-(alpha,alpha-dimethylpropyl)phenol

46. Epa Pesticide Chemical Code 064101

47. Amylphenol, P-tert-

48. Brn 1908224

49. Unii-6np9lyk846

50. P-tertamylphenol

51. Ai3-00460

52. P-t-amyl Phenol

53. Nipacide Ptap

54. Pentaphen 67

55. Para-tertiary Amylphenol

56. 4-tert-amylphenol, 99%

57. Ec 201-280-9

58. Amylphenol [mart.]

59. Schembl49704

60. 4-06-00-03383 (beilstein Handbook Reference)

61. Mls002152935

62. Bidd:er0210

63. Dtxsid8021771

64. Nrzwynltfldqqx-uhfffaoysa-

65. Nsc4965

66. P-tert-pentylphenol [mi]

67. P-(1,1-dimethyl Propyl) Phenol

68. 4-(1,1-dimethyl-propyl)-phenol

69. Hms3039m10

70. Nsc-4965

71. Zinc1680640

72. Tox21_111159

73. Tox21_202351

74. Tox21_300088

75. Bdbm50410536

76. Nsc403672

77. Akos000119604

78. Tox21_111159_1

79. 4-tert-amylphenol, Analytical Standard

80. 1-hydroxy-4-(2-methyl-2-butyl)benzene

81. Ncgc00091655-01

82. Ncgc00091655-03

83. Ncgc00091655-04

84. Ncgc00091655-05

85. Ncgc00254041-01

86. Ncgc00259900-01

87. Ac-16506

88. Smr001224530

89. Db-000247

90. A0460

91. Am20041188

92. Cs-0152629

93. Ft-0704191

94. 4-(1,1-dimethylpropyl)phenol [hsdb]

95. A24574

96. E76129

97. P-(1,1-dimethylpropyl)phenol;para-tert-amylphenol

98. W-109280

99. Q26840951

100. Z1262246132

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 164.24 g/mol
Molecular Formula C11H16O
XLogP33.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass164.120115130 g/mol
Monoisotopic Mass164.120115130 g/mol
Topological Polar Surface Area20.2 Ų
Heavy Atom Count12
Formal Charge0
Complexity132
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Drug and Medication Information
4.1 Minimum/Potential Fatal Human Dose

3(?). 3 = moderately toxic: probable oral lethal dose (human) 0.5-5 g/kg, between 1 oz and 1 pint for 70 kg person (150 lb).

Gosselin, R.E., R.P. Smith, H.C. Hodge. Clinical Toxicology of Commercial Products. 5th ed. Baltimore: Williams and Wilkins, 1984., p. II-189


5 Pharmacology and Biochemistry
5.1 Absorption, Distribution and Excretion

Assoc of (14)C-labelled p-tert-amylphenol with human serum and bacterial Micrococcus lysodeikticus proteins was most clear-cut among phenolic deriv. Protein binding could explain interference of serum with germicidal effects of phenolic disinfectants.

PMID:5657532 Starr JE et al; J Pharm Sci 57 (5): 768 (1968)


5.2 Metabolism/Metabolites

Yields 4-tert-amylphenyl-beta-d-glucuronide in rabbits; Jellinick, PH, Biochem J, 58, 262 (1954). /From table/

Goodwin, B.L. Handbook of Intermediary Metabolism of Aromatic Compounds. New York: Wiley, 1976., p. A-55


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Looking for 80-46-6 / 4-Tert-Amylphenol API manufacturers, exporters & distributors?

4-Tert-Amylphenol manufacturers, exporters & distributors 1

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

Send us enquiries for free, and we will assist you in establishing a direct connection with your preferred 4-Tert-Amylphenol manufacturer or 4-Tert-Amylphenol supplier.

PharmaCompass also assists you with knowing the 4-Tert-Amylphenol API Price utilized in the formulation of products. 4-Tert-Amylphenol API Price is not always fixed or binding as the 4-Tert-Amylphenol Price is obtained through a variety of data sources. The 4-Tert-Amylphenol Price can also vary due to multiple factors, including market conditions, regulatory modifications, or negotiated pricing deals.

API | Excipient name

4-Tert-Amylphenol

Synonyms

80-46-6, 4-tert-pentylphenol, P-tert-pentylphenol, P-tert-amylphenol, 4-t-amylphenol, 4-(2-methylbutan-2-yl)phenol

Cas Number

80-46-6

Unique Ingredient Identifier (UNII)

6NP9LYK846

About 4-Tert-Amylphenol

tert-amylphenol is a natural product found in Paullinia cupana with data available.

4-Tert-Amylphenol Manufacturers

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

4-Tert-Amylphenol Suppliers

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

4-Tert-Amylphenol GMP

4-Tert-Amylphenol 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 4-Tert-Amylphenol 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 4-Tert-Amylphenol GMP manufacturer or 4-Tert-Amylphenol GMP API supplier for your needs.

4-Tert-Amylphenol CoA

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

4-Tert-Amylphenol CoA mostly includes findings from lab analyses of a specific batch. For each 4-Tert-Amylphenol 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.

4-Tert-Amylphenol may be tested according to a variety of international standards, such as European Pharmacopoeia (4-Tert-Amylphenol EP), 4-Tert-Amylphenol JP (Japanese Pharmacopeia) and the US Pharmacopoeia (4-Tert-Amylphenol 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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