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Nonyl Acetate

PubChem CID: 8918

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Compound Synonyms NONYL ACETATE, 143-13-5, Acetic acid, nonyl ester, n-Nonyl acetate, Acetic acid n-nonyl ester, Pelargonyl acetate, n-Nonanyl acetate, Nonanol acetate, n-Nonyl ethanoate, 1-Acetoxynonane, Acetate C-9, Nonyl ethanoate, 1-Nonyl acetate, Acetic Acid Nonyl Ester, NONYLACETATE, Nonyl alcohol, acetate, FEMA No. 2788, EINECS 205-585-8, UNII-M2SE618B1L, NSC 82356, M2SE618B1L, DTXSID4047123, CHEBI:87511, AI3-11583, NSC-82356, NONYL ACETATE [FCC], NONYL ACETATE [FHFI], DTXCID2027123, FEMA 2788, Nonyl alcohol, acetate (6CI), Nonyl acetic acid, Acetate nonyl ester, MFCD00027340, Nonyl acetate, FCC, NONYL ACETATE [INCI], N-NONYL ACETATE [MI], SCHEMBL115437, CHEMBL2228457, ACETIC ACID, N-NONYL ESTER, NSC82356, Tox21_302536, LMFA07010200, AKOS009031530, HY-W289164, NCGC00256685-01, AS-56494, CAS-143-13-5, DB-371597, A0041, CS-0334128, NS00013045, Q9579862, 205-585-8
Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 26.3
Hydrogen Bond Donor Count 0.0
Pfizer 3 75 Rule False
Np Classifier Class Wax monoesters
Deep Smiles CCCCCCCCCOC=O)C
Heavy Atom Count 13.0
Classyfire Class Fatty acyls
Description Found in citrus peel oils, kumquat peel oil, wine grapes, apple, melon, milk, beer, gruyere cheese and pepino fruits (Solanum muricaturm)
Classyfire Subclass Fatty alcohol esters
Isotope Atom Count 0.0
Molecular Complexity 121.0
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name nonyl acetate
Prediction Hob 1.0
Class Fatty Acyls
Veber Rule True
Classyfire Superclass Lipids and lipid-like molecules
Xlogp 4.0
Superclass Lipids and lipid-like molecules
Subclass Fatty alcohol esters
Gsk 4 400 Rule True
Molecular Formula C11H22O2
Prediction Swissadme 0.0
Inchi Key GJQIMXVRFNLMTB-UHFFFAOYSA-N
Silicos It Class Soluble
Fcsp3 0.9090909090909092
Logs -4.331
Rotatable Bond Count 9.0
State Liquid
Logd 3.719
Synonyms 1-Acetoxynonane, 1-Nonanyl acetate, 1-Nonyl acetate, Acetate C-9, Acetic acid n-nonyl ester, Acetic acid, nonyl ester, FEMA 2788, N-nonanyl acetate, N-nonyl acetate, N-nonyl ethanoate, Nonanol acetate, Nonyl acetate, Nonyl alcohol, acetate, Nonyl alcohol, acetate (6ci), Nonyl ethanoate, Pelargonyl acetate, Acetic acid nonyl ester, Acetate nonyl ester, Nonyl acetic acid, Acetic acid N-nonyl ester, N-Nonanyl acetate, N-Nonyl acetate, N-Nonyl ethanoate, n-nonyl acetate, nonyl acetate
Esol Class Soluble
Functional Groups COC(C)=O
Compound Name Nonyl Acetate
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 186.162
Formal Charge 0.0
Monoisotopic Mass 186.162
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 186.29
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aliphatic acyclic compounds
Lipinski Rule Of 5 True
Esol -2.8895289999999996
Inchi InChI=1S/C11H22O2/c1-3-4-5-6-7-8-9-10-13-11(2)12/h3-10H2,1-2H3
Smiles CCCCCCCCCOC(=O)C
Nring 3.0
Np Classifier Biosynthetic Pathway Fatty acids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Taxonomy Direct Parent Fatty alcohol esters
Np Classifier Superclass Fatty esters

  • 1. Outgoing r'ship FOUND_IN to/from Abies Canadensis (Plant) Rel Props:Reference:
  • 2. Outgoing r'ship FOUND_IN to/from Acorus Calamus (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2008.9700004
  • 3. Outgoing r'ship FOUND_IN to/from Anacardium Occidentale (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2007.9699302
  • 4. Outgoing r'ship FOUND_IN to/from Anagallis Arvensis (Plant) Rel Props:Reference:
  • 5. Outgoing r'ship FOUND_IN to/from Asarum Canadensis (Plant) Rel Props:Reference:
  • 6. Outgoing r'ship FOUND_IN to/from Buglossoides Arvensis (Plant) Rel Props:Reference:
  • 7. Outgoing r'ship FOUND_IN to/from Calendula Arvensis (Plant) Rel Props:Reference:
  • 8. Outgoing r'ship FOUND_IN to/from Capillipedium Parviflorum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2012.677141
  • 9. Outgoing r'ship FOUND_IN to/from Citrus Acida (Plant) Rel Props:Reference:
  • 10. Outgoing r'ship FOUND_IN to/from Citrus Aurantifolia (Plant) Rel Props:Reference:
  • 11. Outgoing r'ship FOUND_IN to/from Citrus Aurantiifolia (Plant) Rel Props:Reference:
  • 12. Outgoing r'ship FOUND_IN to/from Citrus Aurantium (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730090603
  • 13. Outgoing r'ship FOUND_IN to/from Citrus Bergamia (Plant) Rel Props:Reference:
  • 14. Outgoing r'ship FOUND_IN to/from Citrus Chachiensis (Plant) Rel Props:Reference:
  • 15. Outgoing r'ship FOUND_IN to/from Citrus Decumana (Plant) Rel Props:Reference:
  • 16. Outgoing r'ship FOUND_IN to/from Citrus Erythrosa (Plant) Rel Props:Reference:
  • 17. Outgoing r'ship FOUND_IN to/from Citrus Funadoko (Plant) Rel Props:Reference:
  • 18. Outgoing r'ship FOUND_IN to/from Citrus Glauca (Plant) Rel Props:Reference:
  • 19. Outgoing r'ship FOUND_IN to/from Citrus Grandis (Plant) Rel Props:Reference:
  • 20. Outgoing r'ship FOUND_IN to/from Citrus Hassaku (Plant) Rel Props:Reference:
  • 21. Outgoing r'ship FOUND_IN to/from Citrus Hybr (Plant) Rel Props:Reference:
  • 22. Outgoing r'ship FOUND_IN to/from Citrus Hystrix (Plant) Rel Props:Reference:
  • 23. Outgoing r'ship FOUND_IN to/from Citrus Indica (Plant) Rel Props:Reference:
  • 24. Outgoing r'ship FOUND_IN to/from Citrus Jambhiri (Plant) Rel Props:Reference:
  • 25. Outgoing r'ship FOUND_IN to/from Citrus Japonica (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2005.9698819
  • 26. Outgoing r'ship FOUND_IN to/from Citrus Junos (Plant) Rel Props:Reference:
  • 27. Outgoing r'ship FOUND_IN to/from Citrus Latifolia (Plant) Rel Props:Reference:
  • 28. Outgoing r'ship FOUND_IN to/from Citrus Latipes (Plant) Rel Props:Reference:
  • 29. Outgoing r'ship FOUND_IN to/from Citrus Limon (Plant) Rel Props:Source_db:fooddb_chem_all
  • 30. Outgoing r'ship FOUND_IN to/from Citrus Limonia (Plant) Rel Props:Reference:
  • 31. Outgoing r'ship FOUND_IN to/from Citrus Maxima (Plant) Rel Props:Reference:
  • 32. Outgoing r'ship FOUND_IN to/from Citrus Medica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 33. Outgoing r'ship FOUND_IN to/from Citrus Mitis (Plant) Rel Props:Reference:
  • 34. Outgoing r'ship FOUND_IN to/from Citrus Natsudaidai (Plant) Rel Props:Reference:
  • 35. Outgoing r'ship FOUND_IN to/from Citrus Nobilis (Plant) Rel Props:Reference:
  • 36. Outgoing r'ship FOUND_IN to/from Citrus Paradisi (Plant) Rel Props:Reference:
  • 37. Outgoing r'ship FOUND_IN to/from Citrus Pennivesiculata (Plant) Rel Props:Reference:
  • 38. Outgoing r'ship FOUND_IN to/from Citrus Pseudolimon (Plant) Rel Props:Reference:
  • 39. Outgoing r'ship FOUND_IN to/from Citrus Reshni (Plant) Rel Props:Reference:
  • 40. Outgoing r'ship FOUND_IN to/from Citrus Reticulata (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2009.9700099
  • 41. Outgoing r'ship FOUND_IN to/from Citrus Reticulate (Plant) Rel Props:Reference:
  • 42. Outgoing r'ship FOUND_IN to/from Citrus Rugulosa (Plant) Rel Props:Reference:
  • 43. Outgoing r'ship FOUND_IN to/from Citrus Sinensis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1994.9698342
  • 44. Outgoing r'ship FOUND_IN to/from Citrus Sudachii (Plant) Rel Props:Reference:
  • 45. Outgoing r'ship FOUND_IN to/from Citrus Tachibana (Plant) Rel Props:Reference:
  • 46. Outgoing r'ship FOUND_IN to/from Citrus Tamurana (Plant) Rel Props:Reference:
  • 47. Outgoing r'ship FOUND_IN to/from Citrus Tangemna (Plant) Rel Props:Reference:
  • 48. Outgoing r'ship FOUND_IN to/from Citrus Tangerina (Plant) Rel Props:Reference:
  • 49. Outgoing r'ship FOUND_IN to/from Citrus Tankan (Plant) Rel Props:Reference:
  • 50. Outgoing r'ship FOUND_IN to/from Citrus Trifoliata (Plant) Rel Props:Reference:
  • 51. Outgoing r'ship FOUND_IN to/from Citrus Unshiu (Plant) Rel Props:Reference:
  • 52. Outgoing r'ship FOUND_IN to/from Citrus Wilsonii (Plant) Rel Props:Reference:
  • 53. Outgoing r'ship FOUND_IN to/from Citrus X (Plant) Rel Props:Reference:
  • 54. Outgoing r'ship FOUND_IN to/from Citrus Yuko (Plant) Rel Props:Reference:
  • 55. Outgoing r'ship FOUND_IN to/from Collinsonia Canadensis (Plant) Rel Props:Reference:
  • 56. Outgoing r'ship FOUND_IN to/from Convolvulus Arvensis (Plant) Rel Props:Reference:
  • 57. Outgoing r'ship FOUND_IN to/from Conyza Canadensis (Plant) Rel Props:Reference:
  • 58. Outgoing r'ship FOUND_IN to/from Craibiodendron Henryi (Plant) Rel Props:Reference:
  • 59. Outgoing r'ship FOUND_IN to/from Craibiodendron Yunnanense (Plant) Rel Props:Reference:
  • 60. Outgoing r'ship FOUND_IN to/from Craibiodendron Yunnanese (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 61. Outgoing r'ship FOUND_IN to/from Cucumis Melo (Plant) Rel Props:Source_db:fooddb_chem_all
  • 62. Outgoing r'ship FOUND_IN to/from Dicentra Canadensis (Plant) Rel Props:Reference:
  • 63. Outgoing r'ship FOUND_IN to/from Erigeron Canadensis (Plant) Rel Props:Reference:
  • 64. Outgoing r'ship FOUND_IN to/from Filago Arvensis (Plant) Rel Props:Reference:
  • 65. Outgoing r'ship FOUND_IN to/from Goniothalamus Arvensis (Plant) Rel Props:Reference:
  • 66. Outgoing r'ship FOUND_IN to/from Hydrastis Canadensis (Plant) Rel Props:Reference:
  • 67. Outgoing r'ship FOUND_IN to/from Lactuca Canadensis (Plant) Rel Props:Reference:
  • 68. Outgoing r'ship FOUND_IN to/from Litsea Monopetala (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1997.9700802
  • 69. Outgoing r'ship FOUND_IN to/from Mandragora Officinalis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1998.9700991
  • 70. Outgoing r'ship FOUND_IN to/from Mentha Aquatica (Plant) Rel Props:Reference:
  • 71. Outgoing r'ship FOUND_IN to/from Mentha Arvensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 72. Outgoing r'ship FOUND_IN to/from Mentha Canadensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 73. Outgoing r'ship FOUND_IN to/from Mentha Cardiaca (Plant) Rel Props:Reference:
  • 74. Outgoing r'ship FOUND_IN to/from Mentha Cordifolia (Plant) Rel Props:Reference:
  • 75. Outgoing r'ship FOUND_IN to/from Mentha Diemenica (Plant) Rel Props:Reference:
  • 76. Outgoing r'ship FOUND_IN to/from Mentha Gattefossei (Plant) Rel Props:Reference:
  • 77. Outgoing r'ship FOUND_IN to/from Mentha Grandiflora (Plant) Rel Props:Reference:
  • 78. Outgoing r'ship FOUND_IN to/from Mentha Incana (Plant) Rel Props:Reference:
  • 79. Outgoing r'ship FOUND_IN to/from Mentha Japonica (Plant) Rel Props:Reference:
  • 80. Outgoing r'ship FOUND_IN to/from Mentha Longifolia (Plant) Rel Props:Reference:
  • 81. Outgoing r'ship FOUND_IN to/from Mentha Piperita (Plant) Rel Props:Reference:
  • 82. Outgoing r'ship FOUND_IN to/from Mentha Pulegiformis (Plant) Rel Props:Reference:
  • 83. Outgoing r'ship FOUND_IN to/from Mentha Pulegium (Plant) Rel Props:Reference:
  • 84. Outgoing r'ship FOUND_IN to/from Mentha Requienii (Plant) Rel Props:Reference:
  • 85. Outgoing r'ship FOUND_IN to/from Mentha Rotundifolia (Plant) Rel Props:Reference:
  • 86. Outgoing r'ship FOUND_IN to/from Mentha Spicata (Plant) Rel Props:Reference:
  • 87. Outgoing r'ship FOUND_IN to/from Mentha Suaveolens (Plant) Rel Props:Reference:
  • 88. Outgoing r'ship FOUND_IN to/from Mentha Sylvestris (Plant) Rel Props:Reference:
  • 89. Outgoing r'ship FOUND_IN to/from Mentha Timija (Plant) Rel Props:Reference:
  • 90. Outgoing r'ship FOUND_IN to/from Mentha X (Plant) Rel Props:Reference:
  • 91. Outgoing r'ship FOUND_IN to/from Nigella Arvensis (Plant) Rel Props:Reference:
  • 92. Outgoing r'ship FOUND_IN to/from Plectranthus Glabratus (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1993.9698226
  • 93. Outgoing r'ship FOUND_IN to/from Polygala Arvensis (Plant) Rel Props:Reference:
  • 94. Outgoing r'ship FOUND_IN to/from Ranunculus Arvensis (Plant) Rel Props:Reference:
  • 95. Outgoing r'ship FOUND_IN to/from Ruta Chalepensis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2002.9699892
  • 96. Outgoing r'ship FOUND_IN to/from Ruta Graveolens (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644050
  • 97. Outgoing r'ship FOUND_IN to/from Sambucus Canadensis (Plant) Rel Props:Reference:
  • 98. Outgoing r'ship FOUND_IN to/from Sanguinaria Canadensis (Plant) Rel Props:Reference:
  • 99. Outgoing r'ship FOUND_IN to/from Sinapis Arvensis (Plant) Rel Props:Reference:
  • 100. Outgoing r'ship FOUND_IN to/from Solidago Canadensis (Plant) Rel Props:Reference:
  • 101. Outgoing r'ship FOUND_IN to/from Sonchus Arvensis (Plant) Rel Props:Reference:
  • 102. Outgoing r'ship FOUND_IN to/from Spergula Arvensis (Plant) Rel Props:Reference:
  • 103. Outgoing r'ship FOUND_IN to/from Taxus Canadensis (Plant) Rel Props:Reference:
  • 104. Outgoing r'ship FOUND_IN to/from Torilis Arvensis (Plant) Rel Props:Reference:
  • 105. Outgoing r'ship FOUND_IN to/from Trachycarpus Fortunei (Plant) Rel Props:Reference:ISBN:9788185042114
  • 106. Outgoing r'ship FOUND_IN to/from Veronica Arvensis (Plant) Rel Props:Reference:
  • 107. Outgoing r'ship FOUND_IN to/from Vitis Adnata (Plant) Rel Props:Reference:
  • 108. Outgoing r'ship FOUND_IN to/from Vitis Amurensis (Plant) Rel Props:Reference:
  • 109. Outgoing r'ship FOUND_IN to/from Vitis Araneosus (Plant) Rel Props:Reference:
  • 110. Outgoing r'ship FOUND_IN to/from Vitis Betulifolia (Plant) Rel Props:Reference:
  • 111. Outgoing r'ship FOUND_IN to/from Vitis Bifurcate (Plant) Rel Props:Reference:
  • 112. Outgoing r'ship FOUND_IN to/from Vitis Carnosa (Plant) Rel Props:Reference:
  • 113. Outgoing r'ship FOUND_IN to/from Vitis Coignetiae (Plant) Rel Props:Reference:
  • 114. Outgoing r'ship FOUND_IN to/from Vitis Heyneana (Plant) Rel Props:Reference:
  • 115. Outgoing r'ship FOUND_IN to/from Vitis Indica (Plant) Rel Props:Reference:
  • 116. Outgoing r'ship FOUND_IN to/from Vitis Labrusca (Plant) Rel Props:Reference:
  • 117. Outgoing r'ship FOUND_IN to/from Vitis Lanata (Plant) Rel Props:Reference:
  • 118. Outgoing r'ship FOUND_IN to/from Vitis Latifolia (Plant) Rel Props:Reference:
  • 119. Outgoing r'ship FOUND_IN to/from Vitis Pallida (Plant) Rel Props:Reference:
  • 120. Outgoing r'ship FOUND_IN to/from Vitis Pedata (Plant) Rel Props:Reference:
  • 121. Outgoing r'ship FOUND_IN to/from Vitis Planicaulis (Plant) Rel Props:Reference:
  • 122. Outgoing r'ship FOUND_IN to/from Vitis Quadrangularis (Plant) Rel Props:Reference:
  • 123. Outgoing r'ship FOUND_IN to/from Vitis Repens (Plant) Rel Props:Reference:
  • 124. Outgoing r'ship FOUND_IN to/from Vitis Rugosa (Plant) Rel Props:Reference:
  • 125. Outgoing r'ship FOUND_IN to/from Vitis Setosa (Plant) Rel Props:Reference:
  • 126. Outgoing r'ship FOUND_IN to/from Vitis Silvestris (Plant) Rel Props:Reference:
  • 127. Outgoing r'ship FOUND_IN to/from Vitis Tomentosa (Plant) Rel Props:Reference:
  • 128. Outgoing r'ship FOUND_IN to/from Vitis Trifolia (Plant) Rel Props:Reference:
  • 129. Outgoing r'ship FOUND_IN to/from Vitis Vinifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 130. Outgoing r'ship FOUND_IN to/from Vitis Vulpina (Plant) Rel Props:Reference:
  • 131. Outgoing r'ship FOUND_IN to/from Zanthoxylum Armatum (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.3381
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