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    Technical details about MolPort-001-793-236, learn more about the structure, uses, toxicity, action, side effects and more

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    MolPort-001-793-236

    APIs // Active Pharmaceutical Ingredients

    PRICE INFORMATION

    DOSSIERs // Finished Dosage Forms

    RELATED EXCIPIENT COMPANIES

    EXCIPIENTS BY APPLICATIONS

    MARKET PLACE

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    2D Structure
    Also known as: 118-56-9, Homomenthyl salicylate, 3,3,5-trimethylcyclohexyl salicylate, Coppertone, Heliopan, Heliophan
    Molecular Formula
    C16H22O3
    Molecular Weight
    262.34  g/mol
    InChI Key
    WSSJONWNBBTCMG-UHFFFAOYSA-N
    FDA UNII
    V06SV4M95S
    Homosalate is an organic compound that belongs to salicylates. It is an ester formed from salicylic acid and 3,3,5-trimethylcyclohexanol, a derivative of cyclohexanol. Salicylates prevent direct skin exposure to the suns harmful rays by absorbing ultraviolet (UV) light. Homosalate specifically absorbs short-wave UVB rays, which are associated with DNA damage and increased risk of skin cancer. It is a common ingredient in many commercially available sunscreens. There are no reported adverse effects from homosalate.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (3,3,5-trimethylcyclohexyl) 2-hydroxybenzoate
    2.1.2 InChI
    InChI=1S/C16H22O3/c1-11-8-12(10-16(2,3)9-11)19-15(18)13-6-4-5-7-14(13)17/h4-7,11-12,17H,8-10H2,1-3H3
    2.1.3 InChI Key
    WSSJONWNBBTCMG-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1CC(CC(C1)(C)C)OC(=O)C2=CC=CC=C2O
    2.2 Other Identifiers
    2.2.1 UNII
    V06SV4M95S
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 3,3,5-trimethylcyclohexyl Salicylate

    2.3.2 Depositor-Supplied Synonyms

    1. 118-56-9

    2. Homomenthyl Salicylate

    3. 3,3,5-trimethylcyclohexyl Salicylate

    4. Coppertone

    5. Heliopan

    6. Heliophan

    7. Eusolex

    8. Filtersol ''a''

    9. (3,3,5-trimethylcyclohexyl) 2-hydroxybenzoate

    10. M-homomenthyl Salicylate

    11. 3,3,5-trimethylcyclohexyl 2-hydroxybenzoate

    12. Homosalatum

    13. Benzoic Acid, 2-hydroxy-, 3,3,5-trimethylcyclohexyl Ester

    14. Nsc 164918

    15. 2-hydroxybenzoic Acid 3,3,5-trimethylcyclohexyl Ester

    16. Mfcd00019377

    17. Salicylic Acid 3,3,5-trimethylcyclohexyl Ester

    18. 52253-93-7

    19. Nsc-164918

    20. V06sv4m95s

    21. Salicylic Acid, 3,3,5-trimethylcyclohexyl Ester

    22. Ncgc00091888-01

    23. Dsstox_cid_6241

    24. Dsstox_rid_78073

    25. Dsstox_gsid_26241

    26. Salicylic Acid, 3,3,5-trimethylcyclohexyl Ester (8ci)

    27. Caswell No. 482b

    28. Homosalato

    29. 3,3,5-trimethylcyclohexyl Salicylate (cis- And Trans- Mixture)

    30. Filtrosol A

    31. Homosalatum [inn-latin]

    32. Homosalato [inn-spanish]

    33. Ccris 4885

    34. Component Of Coppertone

    35. Sr-05000001884

    36. Salicylic Acid, M-homomenthyl Ester

    37. Metahomomenthyl Salicylate

    38. Einecs 204-260-8

    39. Epa Pesticide Chemical Code 076603

    40. Unii-v06sv4m95s

    41. Homosalat

    42. Homosalate [usan:usp:inn]

    43. Kemester Hms

    44. Cas-118-56-9

    45. Homosalate [mi]

    46. Homosalate (usp/inn)

    47. Homosalate [inn]

    48. Prestwick1_001090

    49. Prestwick2_001090

    50. Prestwick3_001090

    51. Homosalate [inci]

    52. Homosalate [usan]

    53. Ec 204-260-8

    54. Homosalate [mart.]

    55. Homosalate [usp-rs]

    56. Homosalate [who-dd]

    57. Schembl16207

    58. Bspbio_001140

    59. Spectrum1505020

    60. Spbio_003030

    61. Bpbio1_001254

    62. Chembl1377575

    63. Dtxsid1026241

    64. Chebi:91642

    65. Homosalate [usp Impurity]

    66. 3,5-trimethylcyclohexyl Salicylate

    67. Hms1571i22

    68. Hms2093g22

    69. Hms2098i22

    70. Hms3715i22

    71. Homosalate [usp Monograph]

    72. Pharmakon1600-01505020

    73. Component Of Coppertone (salt/mix)

    74. Hy-b0928

    75. Tox21_111174

    76. Tox21_202109

    77. Tox21_303082

    78. Nsc164918

    79. Nsc758908

    80. S4572

    81. Akos015904082

    82. Tox21_111174_1

    83. Ccg-213330

    84. Db11064

    85. Nsc-758908

    86. Ncgc00091888-02

    87. Ncgc00091888-03

    88. Ncgc00091888-04

    89. Ncgc00091888-05

    90. Ncgc00091888-06

    91. Ncgc00091888-09

    92. Ncgc00257063-01

    93. Ncgc00259658-01

    94. As-10409

    95. Sy051923

    96. Sbi-0206787.p001

    97. Ab00514041

    98. Ft-0614020

    99. Salicylic Acid,3,5-trimethylcyclohexyl Ester

    100. T2278

    101. Benzoic Acid, 3,3,5-trimethylcyclohexyl Ester

    102. D04450

    103. E78223

    104. 2,3,3,4,4,5,5,6-octachlorobiphenyl

    105. Ab00514041_02

    106. A921433

    107. J-519754

    108. Q2260189

    109. Sr-05000001884-1

    110. Sr-05000001884-2

    111. Brd-a34751532-001-03-6

    112. Brd-a34751532-001-04-4

    113. 2-hydroxybenzoic Acid (3,3,5-trimethylcyclohexyl) Ester

    114. Homosalate, United States Pharmacopeia (usp) Reference Standard

    115. 3,3,5-trimethylcyclohexyl Salicylate 100 Microg/ml In Acetonitrile

    116. 3,3,5-trimethylcyclohexyl Salicylate 100 Microg/ml In Methanol

    117. Homosalate, Pharmaceutical Secondary Standard; Certified Reference Material

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 262.34 g/mol
    Molecular Formula C16H22O3
    XLogP35
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count3
    Exact Mass262.15689456 g/mol
    Monoisotopic Mass262.15689456 g/mol
    Topological Polar Surface Area46.5 Ų
    Heavy Atom Count19
    Formal Charge0
    Complexity324
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count2
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Drug and Medication Information
    4.1 Drug Indication

    As ingredient in many sunscreen for protection against sunburn, skin aging and skin cancer.

    5 Pharmacology and Biochemistry
    5.1 Pharmacology

    Acts as UV filters.

    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

    For local use only, no systemic absorption.

    Route of Elimination

    For local use only, no systemic absorption.

    Volume of Distribution

    For local use only, no systemic absorption.

    Clearance

    For local use only, no systemic absorption.

    5.4 Metabolism/Metabolites

    For local use only, no systemic absorption.

    5.5 Biological Half-Life

    For local use only, no systemic absorption.

    5.6 Mechanism of Action

    Homosalate has the ability to convert incident ultraviolet radiation into less damaging infrared radiation (heat).

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