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    Technical details about Tox21_202544, learn more about the structure, uses, toxicity, action, side effects and more

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    Tox21_202544

    APIs // Active Pharmaceutical Ingredients

    PRICE INFORMATION

    MARKET PLACE

    ANALYTICAL SOLUTION(s)

    DIGITAL CONTENT

    PharmaCompass

    Minakem offers CDMO services for API & HPAPI, generics, regulatory expertise, track record performance & FDA & GMP certifications.

    ChemWerth works in generic API development & supply, non-infringement patent strategy development and regulatory support.

    2D Structure
    Also known as: 2315-67-5, 9002-93-1, Octoxinol, Octoxynol-1, Octoxynol-3, 4-tert-octylphenol monoethoxylate
    Molecular Formula
    C16H26O2
    Molecular Weight
    250.38  g/mol
    InChI Key
    JYCQQPHGFMYQCF-UHFFFAOYSA-N
    FDA UNII
    20CAX7IO75
    Nonionic surfactant mixtures varying in the number of repeating ethoxy (oxy-1,2-ethanediyl) groups. They are used as detergents, emulsifiers, wetting agents, defoaming agents, etc. Octoxynol-9, the compound with 9 repeating ethoxy groups, is a spermatocide.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanol
    2.1.2 InChI
    InChI=1S/C16H26O2/c1-15(2,3)12-16(4,5)13-6-8-14(9-7-13)18-11-10-17/h6-9,17H,10-12H2,1-5H3
    2.1.3 InChI Key
    JYCQQPHGFMYQCF-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCO
    2.2 Other Identifiers
    2.2.1 UNII
    20CAX7IO75
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Octoxinol

    2. Octoxinols

    3. Octoxynol

    4. Octoxynol 9

    5. Octoxynol-9

    6. Octoxynols

    7. Octylphenoxy Polyethoxyethanol

    8. Octylphenoxypolyethoxyethanols

    9. Polyethoxyethanol, Octylphenoxy

    10. Triton X 100

    11. Triton X 305

    12. Triton X 45

    13. Triton X-305

    14. Triton X-45

    15. Triton X100

    16. Triton X305

    17. Triton X45

    2.3.2 Depositor-Supplied Synonyms

    1. 2315-67-5

    2. 9002-93-1

    3. Octoxinol

    4. Octoxynol-1

    5. Octoxynol-3

    6. 4-tert-octylphenol Monoethoxylate

    7. Triton X

    8. 2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanol

    9. Octoxynol 1

    10. Ethanol, 2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]-

    11. Poly(oxyethylene)-p-tert-octylphenyl Ether

    12. 2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethanol

    13. Polyethylene Glycol Mono(p-tert-octylphenyl) Ether

    14. 20cax7io75

    15. 2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)ethanol

    16. Nsc-5259

    17. Polyoxyethylene Mono(octylphenyl) Ether

    18. Triton,(-)

    19. Igepal Ca-210

    20. Ncgc00091012-01

    21. 4-tert-octylphenol Monoethoxylate Solution

    22. Triton X 45

    23. Triton X 305

    24. Dsstox_cid_14085

    25. Dsstox_rid_79110

    26. Dsstox_gsid_34085

    27. Marlophen 820

    28. Neutronyx 605

    29. 2-(4-(2,4,4-trimethylpentan-2-yl)phenoxy)ethanol

    30. Ethanol, 2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)-

    31. Hyonic Pe-250

    32. 2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethan-1-ol

    33. Triton X 35

    34. Octoxinolum

    35. Triton X 165

    36. Triton X 405

    37. Triton X 705

    38. Triton X-102

    39. Mfcd00132505

    40. Peg 4-isooctylphenyl Ether

    41. Peg 4-tert-octylphenyl Ether

    42. Cas-9002-93-1

    43. Ethanol, Octylphenoxy-

    44. Triton X 102

    45. Op1eo

    46. P-tert-(octylphenoxypolyethoxy)ethanol

    47. Polyoxyethylene (9) Octylphenyl Ether

    48. 2-(4-(2,4,4-trimethylpentan-2-yl)phenoxy)ethan-1-ol

    49. Polyoxyethylene (13) Octylphenyl Ether

    50. Unii-20cax7io75

    51. 4-tert-octylphenol-monoethoxylate-ring-13c6 Solution

    52. Polyethylene Glycol 450 Octyl Phenyl Ether

    53. 2-(4-tert-octylphenoxy)ethanol

    54. Octoxinol (inn)

    55. Nsc 5259

    56. Peg (p-(1,1,3,3-tetramethylbutyl)phenyl) Ether

    57. Octyl Phenol Condensed With L2-l3 Moles Ethylene Oxide

    58. Octoxynol 9 (nf)

    59. Octylphenol Ethoxylate

    60. Triton,(+)

    61. Igepal Ca 630

    62. Triton X-405

    63. 4-tert-octylphenyl (2-hydroxyethyl)ether

    64. Polyethylene Glycol Mono(p-(1,1,3,3-tetramethylbutyl)phenyl) Ether

    65. Octoxynol-1 [ii]

    66. Triton X-100 (tn)

    67. Triton X-15

    68. Alpha-(4-(1,1,3,3-tetramethylbutyl)phenyl)-omega-hydroxypoly(oxy-1,2-ethanediyl)

    69. Octoxynol-1 [inci]

    70. Schembl33822

    71. Octoxynol 1 [vandf]

    72. Chembl39763

    73. Octylphenoxy Polyethoxy Ethanol

    74. 2-[4-(2,4,4-trimethyl-2-pentanyl)phenoxy]ethanol

    75. Alpha-(p-(1,1,3,3-tetramethylbutyl)phenoxy)ethanol

    76. Chebi:9750

    77. Triton X-15 Surfactant

    78. Dtxsid1058680

    79. Bdbm81480

    80. Nsc5259

    81. 4-iso-octylphenol-mono-ethoxylate

    82. Chebi:177811

    83. Bio1_000474

    84. Bio1_000963

    85. Bio1_001452

    86. Ethanol, 2-(p-(1,1,3,3-tetramethylbutyl)phenoxy)-

    87. Cas_5590

    88. Nsc_5590

    89. Zinc1532311

    90. Einecs 264-520-1

    91. Tox21_111055

    92. Tox21_202544

    93. Pdsp1_001087

    94. Pdsp2_001071

    95. Stl451484

    96. At25387

    97. Nsc-406472

    98. Polyethylene Glycol P-octylphenyl Ether

    99. Ncgc00260093-01

    100. 63869-93-2

    101. As-68067

    102. Cas_118-96-7

    103. 4-tert-octylphenol Monoethoxylate-[13c6]

    104. Ethanol,1,3,3-tetramethylbutyl)phenoxy]-

    105. Cs-0449852

    106. Ft-0673247

    107. Ft-0689215

    108. Polyethylene Glycol 4-tert-octylphenyl Ether

    109. D05229

    110. P-tert-octylphenyl (2-hydroxyethyl)ether

    111. J-015013

    112. Q27253450

    113. 4-(1,1,3,3-tetramethylbutyl)phenyl-polyethylene Glycol

    114. 4-iso-octylphenol-mono-ethoxylate 10 Microg/ml In Acetone

    115. Glycols, Mono[p-(1,1,3,3-tetramethylbutyl)phenyl] Ether

    116. Polyethylene Glycol P-(1,3,3-tetramethylbutyl)phenyl Ether

    117. Phenol,1,3,3-tetramethylbutyl)-, Monoether With Polyethylene Glycol

    118. Polyethylene Glycol Mono-4-octylphenyl Ether (n=approx. 10)

    119. Polyethylene Glycol Mono[p-(1,3,3-tetramethylbutyl)phenyl] Ether

    120. 4-tert-octylphenol Monoethoxylate Solution, 1 Mug/ml In Acetone, Analytical Standard

    121. 4-tert-octylphenol Monoethoxylate Solution, 10 Mug/ml In Acetone, Analytical Standard

    122. Poly(oxy-1, .alpha.-[4-(1,1,3,3-tetramethylbutyl)phenyl]-.omega.-hydroxy-

    123. 3,9,12,15,18,21,24,27,30-decaoxatriacontan-1-ol, 30-[p-(1,1,3,3-tetramethylbutyl)phenyl]-

    2.4 Create Date
    2005-03-25
    3 Chemical and Physical Properties
    Molecular Weight 250.38 g/mol
    Molecular Formula C16H26O2
    XLogP34.6
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count6
    Exact Mass250.193280068 g/mol
    Monoisotopic Mass250.193280068 g/mol
    Topological Polar Surface Area29.5 Ų
    Heavy Atom Count18
    Formal Charge0
    Complexity232
    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 MeSH Pharmacological Classification

    Detergents

    Purifying or cleansing agents, usually salts of long-chain aliphatic bases or acids, that exert cleansing (oil-dissolving) and antimicrobial effects through a surface action that depends on possessing both hydrophilic and hydrophobic properties. (See all compounds classified as Detergents.)

    Excipients

    Usually inert substances added to a prescription in order to provide suitable consistency to the dosage form. These include binders, matrix, base or diluent in pills, tablets, creams, salves, etc. (See all compounds classified as Excipients.)

    Surface-Active Agents

    Agents that modify interfacial tension of water; usually substances that have one lipophilic and one hydrophilic group in the molecule; includes soaps, detergents, emulsifiers, dispersing and wetting agents, and several groups of antiseptics. (See all compounds classified as Surface-Active Agents.)

    Spermatocidal Agents

    Chemical substances that are destructive to spermatozoa used as topically administered vaginal contraceptives. (See all compounds classified as Spermatocidal Agents.)

    Antifoaming Agents

    Agents used to prevent the formation of foam or to treat flatulence or bloat. (See all compounds classified as Antifoaming Agents.)

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