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    Also known as: Octisalate, 118-60-5, 2-ethylhexyl 2-hydroxybenzoate, Ethyl hexyl salicylate, Ethylhexyl salicylate, Sunarome o
    Molecular Formula
    C15H22O3
    Molecular Weight
    250.33  g/mol
    InChI Key
    FMRHJJZUHUTGKE-UHFFFAOYSA-N
    FDA UNII
    4X49Y0596W
    Octisalate
    octisalate is a natural product found in Lonicera japonica and Homo sapiens with data available.
    1 2D Structure

    Octisalate

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-ethylhexyl 2-hydroxybenzoate
    2.1.2 InChI
    InChI=1S/C15H22O3/c1-3-5-8-12(4-2)11-18-15(17)13-9-6-7-10-14(13)16/h6-7,9-10,12,16H,3-5,8,11H2,1-2H3
    2.1.3 InChI Key
    FMRHJJZUHUTGKE-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCCCC(CC)COC(=O)C1=CC=CC=C1O
    2.2 Other Identifiers
    2.2.1 UNII
    4X49Y0596W
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Ethyl Hexyl Salicylate

    2. Octisalate

    3. Octylsalicylate

    4. Salicylic Acid 2-ethylhexyl Ester

    5. Trans-2-hexenyl Salicylate

    2.3.2 Depositor-Supplied Synonyms

    1. Octisalate

    2. 118-60-5

    3. 2-ethylhexyl 2-hydroxybenzoate

    4. Ethyl Hexyl Salicylate

    5. Ethylhexyl Salicylate

    6. Sunarome O

    7. Sunarome Wmo

    8. Benzoic Acid, 2-hydroxy-, 2-ethylhexyl Ester

    9. Uvinul

    10. Escalol

    11. Usaf Do-11

    12. Neo Heliopan

    13. Salicylic Acid, 2-ethylhexyl Ester

    14. Nsc 46151

    15. Salicylic Acid 2-ethylhexyl Ester

    16. Nsc-46151

    17. Wmo

    18. Chebi:88639

    19. 4x49y0596w

    20. Ncgc00159324-02

    21. Octyl Salicylate;2-ethylhexyl Salicylate

    22. Dsstox_cid_20734

    23. Dsstox_rid_79578

    24. Dsstox_gsid_40734

    25. Octisalate [usan]

    26. Cas-118-60-5

    27. Einecs 204-263-4

    28. Brn 2730664

    29. Octisalate [usan:usp:inn]

    30. Dermoblock Os

    31. Unii-4x49y0596w

    32. Neo Heliopan Os

    33. Uvinul (tn)

    34. Escalol 587

    35. Uvinul O-18

    36. 2-hydroxybenzoic Acid 2-ethylhexyl Ester

    37. Octisalate [ii]

    38. Octisalate (usp/inn)

    39. Ethylhexyl Salicylic Acid

    40. Octisalate [inn]

    41. Octisalate [vandf]

    42. Salicylic Acid Octyl Ester

    43. Ec 204-263-4

    44. Octisalate [mart.]

    45. Salicylic Acid 2-ethylhexyl

    46. Octisalate [usp-rs]

    47. Octisalate [who-dd]

    48. Schembl39594

    49. 2-ethylhexyl2-hydroxybenzoate

    50. Octyl Salicylate [mi]

    51. 2-ethylhexyl Salicylate, 99%

    52. Chembl1329203

    53. Dtxsid7040734

    54. Octyl Salicylate [vandf]

    55. Wln: Qr Bvo1y4 & 2

    56. 2-ethylhexyl Salicylate, >=99%

    57. Octisalate [usp Monograph]

    58. Hy-b0929

    59. Nsc46151

    60. Ethylhexyl Salicylate [inci]

    61. Tox21_111573

    62. Ethylhexyl Salicylate [vandf]

    63. Mfcd00053300

    64. S6405

    65. Stl570066

    66. Akos015890505

    67. Salicylic Acid-2-ethyl-1-hexyl Ester

    68. Tox21_111573_1

    69. Cs-4398

    70. Db11062

    71. Ncgc00159324-03

    72. Ncgc00159324-04

    73. Ac-12458

    74. Ls-14437

    75. 2-hydroxy Benzoic Acid 2-ethylhexyl Ester

    76. Db-041415

    77. 2-ethylhexyl Salicylate, Analytical Standard

    78. Ft-0631674

    79. S0387

    80. D05226

    81. A804061

    82. J-509330

    83. Ethyl5-(4-bromophenyl)isoxazole-3-carboxylate

    84. Q27160526

    85. Octisalate, United States Pharmacopeia (usp) Reference Standard

    86. Salicylic Acid-2-ethyl-1-hexyl Ester 100 Microg/ml In Acetonitrile

    87. Octisalate, Pharmaceutical Secondary Standard; Certified Reference Material

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 250.33 g/mol
    Molecular Formula C15H22O3
    XLogP35.7
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count8
    Exact Mass250.15689456 g/mol
    Monoisotopic Mass250.15689456 g/mol
    Topological Polar Surface Area46.5 Ų
    Heavy Atom Count18
    Formal Charge0
    Complexity240
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Drug and Medication Information
    4.1 Drug Indication

    Ingredient in sunscreens for protection against damage effects of sun light, provides protection from sunburns, aging and skin cancer.

    5 Pharmacology and Biochemistry
    5.1 Pharmacology

    Data not found.

    5.2 MeSH Pharmacological Classification

    Sunscreening Agents

    Chemical or physical agents that protect the skin from sunburn and erythema by absorbing or blocking ultraviolet radiation. (See all compounds classified as Sunscreening Agents.)

    5.3 Absorption, Distribution and Excretion

    Absorption

    Intended for local use only, no systemic absorption.

    Route of Elimination

    Intended for local use only, no systemic absorption.

    Volume of Distribution

    Intended for local use only, no systemic absorption.

    Clearance

    Intended for local use only, no systemic absorption.

    5.4 Metabolism/Metabolites

    Intended for local use only, no systemic absorption.

    5.5 Biological Half-Life

    Intended for local use only, no systemic absorption.

    5.6 Mechanism of Action

    Chemical sunscreen, it acts through absorption of UVB light and not UVA.

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    17-Jun-2021
    28-Oct-2024
    KGS
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