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p-CRESYL ACETATE

PubChem CID: 8797

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Compound Synonyms p-Tolyl acetate, p-Cresyl acetate, 140-39-6, Acetic acid, 4-methylphenyl ester, 4-Tolyl acetate, p-Acetoxytoluene, 4-Methylphenyl acetate, Narceol, 4-Acetoxytoluene, p-Cresol acetate, Cresyl acetate, Paracresyl acetate, p-Tolyl ethanoate, Acetic acid, p-tolyl ester, P-METHYLPHENYL ACETATE, (4-methylphenyl) acetate, Tolylacetate, Cresylic acetate, p-, FEMA No. 3073, p-Cresylic acetate, NSC 43244, P-Tolyacetate, para-tolyl acetate, EINECS 205-413-1, BRN 1908125, 42I5PWW20C, DTXSID0046567, AI3-01266, MFCD00008703, NSC-43244, NSC-65594, Acetic acid p-cresyl ester, Acetic Acid p-Tolyl Ester, CHEBI:9627, P-CRESYL ACETATE [FCC], P-TOLYL ACETATE [FHFI], DTXCID8026567, acetic acid 4-methylphenyl ester, 4-06-00-02112 (Beilstein Handbook Reference), NCGC00166232-01, WLN: 1VOR D1, p-tolylacetate, para-cresyl acetate, CAS-140-39-6, Cresyl acetate, p-, UNII-42I5PWW20C, pAcetoxytoluene, Humibid, 4Acetoxytoluene, pCresol acetate, pCresyl acetate, Acetyl pcresol, pTolyl ethanoate, 4Tolyl acetate, pCresylic acetate, Cresylic acetate, p, pMethylphenyl acetate, 4Methylphenyl acetate, p-Cresyl acetate fcc, (p-tolyl)-Acetic acid, p-Tolyl acetate, 99%, Acetic acid, ptolyl ester, PARA- TOLYL ACETATE, 4-Methyl-Benzeneacetic acid, NCIOpen2_000107, SCHEMBL280615, CHEMBL501246, Acetic acid, 4methylphenyl ester, FEMA 3073, acetic acid 4-methyl-phenyl ester, p-Tolyl acetate, >=98%, FCC, NSC43244, NSC65594, Tox21_112361, Tox21_302350, STK001714, AKOS005374351, Tox21_112361_1, Benzeneacetic acid, 4-methyl- (9CI), NCGC00166232-02, NCGC00255676-01, SY051758, A0670, CS-0153052, NS00006727, C01963, F19619, Q27108451, 205-413-1
Ghose Rule False
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 26.3
Hydrogen Bond Donor Count 0.0
Pfizer 3 75 Rule False
Scaffold Graph Level C1CCCCC1
Deep Smiles CC=O)Occcccc6))C
Heavy Atom Count 11.0
Classyfire Class Phenol esters
Description Present in essential oils of wallflower, cananga and ylang-ylang. Flavouring ingredient. p-Tolyl acetate is found in herbs and spices.
Scaffold Graph Node Level C1CCCCC1
Isotope Atom Count 0.0
Molecular Complexity 134.0
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id P02545
Iupac Name (4-methylphenyl) acetate
Prediction Hob 1.0
Class Phenol esters
Veber Rule True
Classyfire Superclass Benzenoids
Target Id NPT483
Xlogp 2.1
Superclass Benzenoids
Gsk 4 400 Rule True
Molecular Formula C9H10O2
Scaffold Graph Node Bond Level c1ccccc1
Prediction Swissadme 0.0
Inchi Key CDJJKTLOZJAGIZ-UHFFFAOYSA-N
Silicos It Class Soluble
Fcsp3 0.2222222222222222
Logs -4.122
Rotatable Bond Count 2.0
Logd 2.575
Synonyms (4-Methylphenyl)acetic acid, (P-Tolyl)-acetic acid, (p-tolyl)acetic acid, 4-Acetoxytoluene, 4-Methyl-benzeneacetic acid, 4-Methylbenzeneacetic acid, 4-Methylbenzoic acid methyl ester, 4-Methylphenyl acetate, 4-Tolyl acetate, Acetic acid p-cresyl ester, Acetic acid, (p-tolyl)-, Acetic acid, 4-methylphenyl ester, Acetic acid, p-tolyl ester, Benzeneacetic acid, 4-methyl-, Benzeneacetic acid, 4-methyl- (9CI), Cresyl acetate, Cresyl acetate, p-, Cresylic acetate, p-, FEMA 3073, Narceol, P-acetoxytoluene, P-cresol acetate, P-cresyl acetate, P-cresyl acetate FCC, P-Cresyl acetic acid, P-cresylic acetate, P-methylphenyl acetate, P-methylphenylacetic acid, P-tolyacetate, P-Tolyacetic acid, p-Tolyl acetate, P-tolyl ethanoate, P-tolylacetic acid, Paracresyl acetate, Tolylacetate, p-Cresyl acetate, p-Tolyacetate, p-Cresyl acetic acid, p-Tolyacetic acid, p-Tolyl acetic acid, (P-Tolyl)acetic acid, Acetic acid P-cresyl ester, Acetic acid, P-tolyl ester, Benzeneacetic acid, 4-methyl- (9ci), P-Acetoxytoluene, P-Cresol acetate, P-Cresyl acetate FCC, P-Cresylic acetate, P-Methylphenyl acetate, P-Methylphenylacetic acid, P-Tolyl ethanoate, P-Tolylacetic acid, 4-Cresyl acetate, Para-cresyl acetate, Tolylacetic acid, p-cresyl acetate, p-tolyl acetate
Esol Class Soluble
Functional Groups cOC(C)=O
Compound Name p-CRESYL ACETATE
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 150.068
Formal Charge 0.0
Monoisotopic Mass 150.068
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 150.17
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aromatic homomonocyclic compounds
Lipinski Rule Of 5 True
Esol -2.3720337636363635
Inchi InChI=1S/C9H10O2/c1-7-3-5-9(6-4-7)11-8(2)10/h3-6H,1-2H3
Smiles CC1=CC=C(C=C1)OC(=O)C
Nring 3.0
Defined Bond Stereocenter Count 0.0
Egan Rule True
Taxonomy Direct Parent Phenol esters

  • 1. Outgoing r'ship FOUND_IN to/from Boswellia Sacra (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1998.9700833
  • 2. Outgoing r'ship FOUND_IN to/from Chrysanthemum Sinense (Plant) Rel Props:Reference:
  • 3. Outgoing r'ship FOUND_IN to/from Cnidium Monieri (Plant) Rel Props:Reference:
  • 4. Outgoing r'ship FOUND_IN to/from Cnidium Monnieri (Plant) Rel Props:Reference:
  • 5. Outgoing r'ship FOUND_IN to/from Cnidium Officinale (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 6. Outgoing r'ship FOUND_IN to/from Cynoglossum Officinale (Plant) Rel Props:Reference:
  • 7. Outgoing r'ship FOUND_IN to/from Euphrasia Officinale (Plant) Rel Props:Reference:
  • 8. Outgoing r'ship FOUND_IN to/from Gardenia Jasminoides (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1996.9700609
  • 9. Outgoing r'ship FOUND_IN to/from Guaiacum Officinale (Plant) Rel Props:Reference:
  • 10. Outgoing r'ship FOUND_IN to/from Hyssopus Officinale (Plant) Rel Props:Reference:
  • 11. Outgoing r'ship FOUND_IN to/from Jasminum Officinale (Plant) Rel Props:Reference:
  • 12. Outgoing r'ship FOUND_IN to/from Levisticum Officinale (Plant) Rel Props:Reference:
  • 13. Outgoing r'ship FOUND_IN to/from Ligusticum Brachylobum (Plant) Rel Props:Reference:
  • 14. Outgoing r'ship FOUND_IN to/from Ligusticum Chuanxiong (Plant) Rel Props:Source_db:npass_chem_all
  • 15. Outgoing r'ship FOUND_IN to/from Ligusticum Elatum (Plant) Rel Props:Reference:
  • 16. Outgoing r'ship FOUND_IN to/from Ligusticum Jeholense (Plant) Rel Props:Reference:
  • 17. Outgoing r'ship FOUND_IN to/from Ligusticum Lucidum (Plant) Rel Props:Reference:
  • 18. Outgoing r'ship FOUND_IN to/from Ligusticum Porteri (Plant) Rel Props:Reference:
  • 19. Outgoing r'ship FOUND_IN to/from Ligusticum Scoticum (Plant) Rel Props:Reference:
  • 20. Outgoing r'ship FOUND_IN to/from Ligusticum Sinense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 21. Outgoing r'ship FOUND_IN to/from Ligusticum Tenuissimum (Plant) Rel Props:Reference:
  • 22. Outgoing r'ship FOUND_IN to/from Ligustrum Sinense (Plant) Rel Props:Reference:
  • 23. Outgoing r'ship FOUND_IN to/from Limonium Sinense (Plant) Rel Props:Reference:
  • 24. Outgoing r'ship FOUND_IN to/from Lithospermum Officinale (Plant) Rel Props:Reference:
  • 25. Outgoing r'ship FOUND_IN to/from Moringa Oleifera (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2013.813189
  • 26. Outgoing r'ship FOUND_IN to/from Nasturtium Officinale (Plant) Rel Props:Reference:
  • 27. Outgoing r'ship FOUND_IN to/from Peucedanum Officinale (Plant) Rel Props:Reference:
  • 28. Outgoing r'ship FOUND_IN to/from Prunus Africana (Plant) Rel Props:Reference:
  • 29. Outgoing r'ship FOUND_IN to/from Prunus Armeniaca (Plant) Rel Props:Reference:
  • 30. Outgoing r'ship FOUND_IN to/from Prunus Avium (Plant) Rel Props:Reference:
  • 31. Outgoing r'ship FOUND_IN to/from Prunus Cerasoides (Plant) Rel Props:Reference:
  • 32. Outgoing r'ship FOUND_IN to/from Prunus Cerasus (Plant) Rel Props:Reference:
  • 33. Outgoing r'ship FOUND_IN to/from Prunus Ceylanica (Plant) Rel Props:Reference:
  • 34. Outgoing r'ship FOUND_IN to/from Prunus Cornuta (Plant) Rel Props:Reference:
  • 35. Outgoing r'ship FOUND_IN to/from Prunus Davidiana (Plant) Rel Props:Reference:
  • 36. Outgoing r'ship FOUND_IN to/from Prunus Domestica (Plant) Rel Props:Reference:
  • 37. Outgoing r'ship FOUND_IN to/from Prunus Dulcis (Plant) Rel Props:Reference:
  • 38. Outgoing r'ship FOUND_IN to/from Prunus Humilis (Plant) Rel Props:Reference:
  • 39. Outgoing r'ship FOUND_IN to/from Prunus Jacquemontii (Plant) Rel Props:Reference:
  • 40. Outgoing r'ship FOUND_IN to/from Prunus Japonica (Plant) Rel Props:Reference:
  • 41. Outgoing r'ship FOUND_IN to/from Prunus Laurocerasus (Plant) Rel Props:Reference:
  • 42. Outgoing r'ship FOUND_IN to/from Prunus Lusitanica (Plant) Rel Props:Reference:
  • 43. Outgoing r'ship FOUND_IN to/from Prunus Mahaleb (Plant) Rel Props:Reference:
  • 44. Outgoing r'ship FOUND_IN to/from Prunus Mandshurica (Plant) Rel Props:Reference:
  • 45. Outgoing r'ship FOUND_IN to/from Prunus Mume (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 46. Outgoing r'ship FOUND_IN to/from Prunus Persica (Plant) Rel Props:Reference:
  • 47. Outgoing r'ship FOUND_IN to/from Prunus Prostrata (Plant) Rel Props:Reference:
  • 48. Outgoing r'ship FOUND_IN to/from Prunus Pseudocerasus (Plant) Rel Props:Reference:
  • 49. Outgoing r'ship FOUND_IN to/from Prunus Puddum (Plant) Rel Props:Reference:
  • 50. Outgoing r'ship FOUND_IN to/from Prunus Puddun (Plant) Rel Props:Reference:
  • 51. Outgoing r'ship FOUND_IN to/from Prunus Salicina (Plant) Rel Props:Reference:
  • 52. Outgoing r'ship FOUND_IN to/from Prunus Serotina (Plant) Rel Props:Reference:
  • 53. Outgoing r'ship FOUND_IN to/from Prunus Serrulata (Plant) Rel Props:Reference:
  • 54. Outgoing r'ship FOUND_IN to/from Prunus Sibirica (Plant) Rel Props:Reference:
  • 55. Outgoing r'ship FOUND_IN to/from Prunus Speciosa (Plant) Rel Props:Reference:
  • 56. Outgoing r'ship FOUND_IN to/from Prunus Tomentosa (Plant) Rel Props:Reference:
  • 57. Outgoing r'ship FOUND_IN to/from Prunus Venosa (Plant) Rel Props:Reference:
  • 58. Outgoing r'ship FOUND_IN to/from Prunus Verecunda (Plant) Rel Props:Reference:
  • 59. Outgoing r'ship FOUND_IN to/from Prunus Virginiana (Plant) Rel Props:Reference:
  • 60. Outgoing r'ship FOUND_IN to/from Prunus Yedoensis (Plant) Rel Props:Reference:
  • 61. Outgoing r'ship FOUND_IN to/from Prunus Zippeliana (Plant) Rel Props:Reference:
  • 62. Outgoing r'ship FOUND_IN to/from Rheum Officinale (Plant) Rel Props:Reference:
  • 63. Outgoing r'ship FOUND_IN to/from Schoenocaulon Officinale (Plant) Rel Props:Reference:
  • 64. Outgoing r'ship FOUND_IN to/from Sisymbrium Officinale (Plant) Rel Props:Reference:
  • 65. Outgoing r'ship FOUND_IN to/from Symphytum Officinale (Plant) Rel Props:Reference:
  • 66. Outgoing r'ship FOUND_IN to/from Taraxacum Officinale (Plant) Rel Props:Reference:
  • 67. Outgoing r'ship FOUND_IN to/from Tetracentron Sinense (Plant) Rel Props:Reference:
  • 68. Outgoing r'ship FOUND_IN to/from Zingiber Officinale (Plant) Rel Props:Reference:
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