Ethyl phenylacetate

PubChem CID: 7590

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Compound Synonyms	ETHYL PHENYLACETATE, 101-97-3, ethyl 2-phenylacetate, Benzeneacetic acid, ethyl ester, Ethyl phenacetate, Phenylacetic acid ethyl ester, Ethyl 2-phenylethanoate, Ethyl benzeneacetate, Ethyl phenylethanoate, Phenylacetic acid, ethyl ester, Ethyl alpha-toluate, Acetic acid, phenyl-, ethyl ester, FEMA No. 2452, alpha-Toluic acid, ethyl ester, Ethyl .alpha.-toluate, NSC 406259, UNII-V6CNZ04D8O, EINECS 202-993-8, V6CNZ04D8O, Phenyl-acetic acid ethyl ester, BRN 0509140, DTXSID6044353, AI3-00654, NSC-8894, NSC-406259, Phenyl-acetic acid, ethyl ester, DTXCID4024353, HSDB 8382, .alpha.-Toluic acid, ethyl ester, EC 202-993-8, 4-09-00-01618 (Beilstein Handbook Reference), PHENYL-ACETIC ACID,ETHYL ESTER, WLN: 2OV1R, EPhA ester, MFCD00009178, Ethyl alpha -toluate, ethyl-2-phenylacetate, ETHYLPHENYLACETATE, ethyl alpha-phenylacetate, SCHEMBL112999, 2-Phenylacetic acid ethyl ester, alpha -toluic acid, ethyl ester, CHEMBL3183476, ETHYL PHENYLACETATE [MI], FEMA 2452, ETHYL PHENYLACETATE [FCC], NSC8894, CHEBI:180411, ETHYL PHENYLACETATE [FHFI], ETHYL .ALPHA.-PHENYLACETATE, Tox21_300810, NSC406259, AKOS000120516, CS-W016087, FP54923, HY-W015371, Ethyl phenylacetate, analytical standard, Ethyl phenylacetate, >=98%, FCC, FG, Ethyl phenylacetate, natural, 98%, FG, NCGC00248178-01, NCGC00254714-01, CAS-101-97-3, PD158318, DB-002721, Ethyl phenylacetate, ReagentPlus(R), 99%, NS00005956, P0122, D77783, Ethyl phenylacetate, Vetec(TM) reagent grade, 97.5%, Q27291591, F0001-0055, Flavor and Extract Manufacturers' Association No. 2452, InChI=1/C10H12O2/c1-2-12-10(11)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H, 2-(3-acetyloxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)propanoic acid, 202-993-8
Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	C1CCCCC1
Np Classifier Class	Wax monoesters
Deep Smiles	CCOC=O)Ccccccc6
Heavy Atom Count	12.0
Classyfire Class	Benzene and substituted derivatives
Description	Ethyl phenylacetate is an odoriferous constituent of many plants. It is found in many foods, some of which are apple, grapefruit, guava fruit, papaya, melon, pineapple, wheat bread, crispbread, wines, fruit brandies, shoyu, bael (Aegle marmelos), sake, and ceriman (Monstera deliciosa). It can be used as a flavouring ingredient.
Scaffold Graph Node Level	C1CCCCC1
Isotope Atom Count	0.0
Molecular Complexity	137.0
Database Name	cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Iupac Name	ethyl 2-phenylacetate
Prediction Hob	1.0
Class	Benzene and substituted derivatives
Veber Rule	True
Classyfire Superclass	Benzenoids
Xlogp	2.3
Superclass	Benzenoids
Gsk 4 400 Rule	True
Molecular Formula	C10H12O2
Scaffold Graph Node Bond Level	c1ccccc1
Prediction Swissadme	1.0
Inchi Key	DULCUDSUACXJJC-UHFFFAOYSA-N
Silicos It Class	Soluble
Fcsp3	0.3
Logs	-2.511
Rotatable Bond Count	4.0
State	Liquid
Logd	2.538
Synonyms	&alpha, -toluic acid, ethyl ester, Acetic acid, phenyl-, ethyl ester, alpha -Toluic acid, ethyl ester, Alpha-toluic acid, ethyl ester, Benzeneacetic acid, ethyl ester, Ethyl &alpha, -toluate, ethyl 2-phenylacetate, Ethyl 2-phenylethanoate, Ethyl alpha -toluate, Ethyl alpha-toluate, Ethyl benzeneacetate, Ethyl phenacetate, Ethyl phenylacetate, Ethyl phenylethanoate, FEMA 2452, Phenyl-acetic acid ethyl ester, Phenyl-acetic acid, ethyl ester, Phenyl-acetic acid,ethyl ester, Phenylacetic acid ethyl ester, Phenylacetic acid, ethyl ester, Ethyl phenylacetic acid, alpha-Toluic acid, ethyl ester, Ethyl 2-phenylacetate, Ethyl 2-phenylacetic acid, EPhA ester, benzene aceticacid,ethyl ester, ethyl phenylacetate
Esol Class	Soluble
Functional Groups	COC(C)=O
Compound Name	Ethyl phenylacetate
Kingdom	Organic compounds
Prediction Hob Swissadme	1.0
Exact Mass	164.084
Formal Charge	0.0
Monoisotopic Mass	164.084
Hydrogen Bond Acceptor Count	2.0
Molecular Weight	164.2
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	-2.4004648
Inchi	InChI=1S/C10H12O2/c1-2-12-10(11)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
Smiles	CCOC(=O)CC1=CC=CC=C1
Nring	1.0
Np Classifier Biosynthetic Pathway	Fatty acids
Defined Bond Stereocenter Count	0.0
Egan Rule	True
Taxonomy Direct Parent	Benzene and substituted derivatives
Np Classifier Superclass	Fatty esters

1. Outgoing r'ship FOUND_IN to/from Artemisia Judaica (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730070204
2. Outgoing r'ship FOUND_IN to/from Breynia Rhamnoides (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Camellia Sinensis (Plant) Rel Props:Source_db:fooddb_chem_all
4. Outgoing r'ship FOUND_IN to/from Carissa Carandas (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2004.9698764
5. Outgoing r'ship FOUND_IN to/from Chrysanthemum Boreale (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Chrysanthemum Coronarium (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Chrysanthemum Griffithii (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Chrysanthemum Indicum (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Chrysanthemum Lavandulifolium (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Chrysanthemum Leptophyllum (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Chrysanthemum Morifolium (Plant) Rel Props:Source_db:npass_chem_all
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13. Outgoing r'ship FOUND_IN to/from Chrysanthemum Pyrethroides (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Chrysanthemum Sinense (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Chrysanthemum Tibeticum (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Chrysanthemum Uliginosum (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Chrysanthemum X (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Chrysanthemum Zawadskii (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Citrus Medica (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1991.9697965
20. Outgoing r'ship FOUND_IN to/from Citrus Reticulata (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1990.9697893
21. Outgoing r'ship FOUND_IN to/from Elaeagnus Angustifolia (Plant) Rel Props:Reference:ISBN:9788185042138
22. Outgoing r'ship FOUND_IN to/from Elaeagnus Rhamnoides (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Gardenia Jasminoides (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1996.9700609
24. Outgoing r'ship FOUND_IN to/from Hedychium Coronarium (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730060310
25. Outgoing r'ship FOUND_IN to/from Hierochloe Odorata (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730060108
26. Outgoing r'ship FOUND_IN to/from Hippophae Fructus (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Hippophae Rhamnoides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
28. Outgoing r'ship FOUND_IN to/from Hippophae Salicifolia (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Hippophae Tibetana (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Jasminum Chrysanthemum (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Phyllanthus Rhamnoides (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Plumeria Rubra (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730090612
33. Outgoing r'ship FOUND_IN to/from Spondias Mombin (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2005.9698933
34. Outgoing r'ship FOUND_IN to/from Zanthoxylum Acanthopodium (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Zanthoxylum Acutifolium (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Zanthoxylum Ailanthoides (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Zanthoxylum Americanum (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Zanthoxylum Armatum (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Zanthoxylum Arnottianum (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Zanthoxylum Avicennae (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Zanthoxylum Belizense (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Zanthoxylum Brachyacanthum (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Zanthoxylum Budrunga (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Zanthoxylum Bungeanum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
45. Outgoing r'ship FOUND_IN to/from Zanthoxylum Chiloperone (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Zanthoxylum Chiriquinum (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Zanthoxylum Cuspidatum (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Zanthoxylum Decaryi (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Zanthoxylum Dipetalum (Plant) Rel Props:Reference:
50. Outgoing r'ship FOUND_IN to/from Zanthoxylum Dissitum (Plant) Rel Props:Reference:
51. Outgoing r'ship FOUND_IN to/from Zanthoxylum Echinocarpum (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Zanthoxylum Elephantiasis (Plant) Rel Props:Reference:
53. Outgoing r'ship FOUND_IN to/from Zanthoxylum Fagara (Plant) Rel Props:Reference:
54. Outgoing r'ship FOUND_IN to/from Zanthoxylum Flavum (Plant) Rel Props:Reference:
55. Outgoing r'ship FOUND_IN to/from Zanthoxylum Fraxineum (Plant) Rel Props:Reference:
56. Outgoing r'ship FOUND_IN to/from Zanthoxylum Hamiltonianum (Plant) Rel Props:Reference:
57. Outgoing r'ship FOUND_IN to/from Zanthoxylum Hostile (Plant) Rel Props:Reference:
58. Outgoing r'ship FOUND_IN to/from Zanthoxylum Integrifoliolum (Plant) Rel Props:Reference:
59. Outgoing r'ship FOUND_IN to/from Zanthoxylum Limonella (Plant) Rel Props:Reference:
60. Outgoing r'ship FOUND_IN to/from Zanthoxylum Monophyllum (Plant) Rel Props:Reference:
61. Outgoing r'ship FOUND_IN to/from Zanthoxylum Myriacanthum (Plant) Rel Props:Reference:
62. Outgoing r'ship FOUND_IN to/from Zanthoxylum Nitidum (Plant) Rel Props:Reference:
63. Outgoing r'ship FOUND_IN to/from Zanthoxylum Ocumarense (Plant) Rel Props:Reference:
64. Outgoing r'ship FOUND_IN to/from Zanthoxylum Ovalifolium (Plant) Rel Props:Reference:
65. Outgoing r'ship FOUND_IN to/from Zanthoxylum Oxphyllum (Plant) Rel Props:Reference:
66. Outgoing r'ship FOUND_IN to/from Zanthoxylum Oxyphyllum (Plant) Rel Props:Reference:
67. Outgoing r'ship FOUND_IN to/from Zanthoxylum Piperitum (Plant) Rel Props:Source_db:npass_chem_all
68. Outgoing r'ship FOUND_IN to/from Zanthoxylum Planispinum (Plant) Rel Props:Reference:
69. Outgoing r'ship FOUND_IN to/from Zanthoxylum Podocarpum (Plant) Rel Props:Reference:
70. Outgoing r'ship FOUND_IN to/from Zanthoxylum Rhetsa (Plant) Rel Props:Reference:
71. Outgoing r'ship FOUND_IN to/from Zanthoxylum Rubescens (Plant) Rel Props:Reference:
72. Outgoing r'ship FOUND_IN to/from Zanthoxylum Schinifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
73. Outgoing r'ship FOUND_IN to/from Zanthoxylum Simulans (Plant) Rel Props:Reference:
74. Outgoing r'ship FOUND_IN to/from Zanthoxylum Spinosum (Plant) Rel Props:Reference:
75. Outgoing r'ship FOUND_IN to/from Zanthoxylum Syncarpum (Plant) Rel Props:Reference:
76. Outgoing r'ship FOUND_IN to/from Zanthoxylum Tetraspermum (Plant) Rel Props:Reference:
77. Outgoing r'ship FOUND_IN to/from Zanthoxylum Triphyllum (Plant) Rel Props:Reference:
78. Outgoing r'ship FOUND_IN to/from Zanthoxylum Tsihanimposa (Plant) Rel Props:Reference:
79. Outgoing r'ship FOUND_IN to/from Zanthoxylum Veneficium (Plant) Rel Props:Reference:
80. Outgoing r'ship FOUND_IN to/from Zea Mays (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all

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Ethyl phenylacetate

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Phytochemical Properties

Associated Connections 80

Plant Connections 80