Ethyl propionate
PubChem CID: 7749
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| Compound Synonyms | ETHYL PROPIONATE, 105-37-3, Ethyl propanoate, Propanoic acid, ethyl ester, Propionic ether, Propionic ester, Propionic acid, ethyl ester, Ethylpropionate, Propionate d'ethyle, Propionic acid ethyl ester, Ethyl n-propionate, Propanoic acid ethyl ester, FEMA No. 2456, Ethyl propionate (natural), NSC 8848, Ethylester kyseliny propionove, HSDB 5366, UNII-AT9K8FY49U, EINECS 203-291-4, AT9K8FY49U, MFCD00009308, BRN 0506287, DTXSID1040110, CHEBI:41330, AI3-24354, NSC-8848, Ethyl ester of propanoic acid, DTXCID9020110, 4-02-00-00705 (Beilstein Handbook Reference), Ethyl Propionate(Propionic Acid Ethyl Ester), Propionic acid-ethyl ester, WE(2:0/3:0), ethylpropanoate, Propionate d'ethyle [French], UN1195, Ethylester kyseliny propionove [Czech], ethyl proprionate, n-Ethyl propanoate, Ethyl propionate, 99%, C2H5COOC2H5, propionic acid ethyl ester-, SCHEMBL16045, WLN: 2VO2, CHEMBL44115, ETHYL PROPIONATE [MI], ETHYL PROPIONATE [FCC], ETHYL PROPIONATE [FHFI], FEMA 2456, MSK6712, NSC8848, HY-Y0812, Tox21_301081, Ethyl propionate, analytical standard, LMFA07010411, STL280279, AKOS003216229, AKOS008947789, 1ST6712, Ethyl propionate, >=97%, FCC, FG, UN 1195, NCGC00248281-01, NCGC00254982-01, CAS-105-37-3, FE159333, LS-13076, DB-040613, NS00012457, P0505, EN300-16126, Ethyl propionate, natural, >=97%, FCC, FG, Ethyl propionate [UN1195] [Flammable liquid], Q2740687, Ethyl propionate LBG-29964, LBG-29965 battery grade, F0001-0104, Propionic acid-ethyl ester 1000 microg/mL in Acetonitrile, InChI=1/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H, 203-291-4 |
|---|---|
| Ghose Rule | False |
| 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 | CCOC=O)CC |
| Heavy Atom Count | 7.0 |
| Classyfire Class | Carboxylic acids and derivatives |
| Description | It is used in fruity and rum flavour compositions. Ethyl propionate is found in many foods, some of which are apple, fig, black elderberry, and olive. |
| Classyfire Subclass | Carboxylic acid derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 59.1 |
| 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 propanoate |
| Prediction Hob | 1.0 |
| Class | Carboxylic acids and derivatives |
| Veber Rule | True |
| Classyfire Superclass | Organic acids and derivatives |
| Xlogp | 1.2 |
| Superclass | Organic acids and derivatives |
| Subclass | Carboxylic acid derivatives |
| Gsk 4 400 Rule | True |
| Molecular Formula | C5H10O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FKRCODPIKNYEAC-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.8 |
| Logs | -0.808 |
| Rotatable Bond Count | 3.0 |
| State | Liquid |
| Logd | 0.675 |
| Synonyms | Ethyl ester of propanoic acid, Ethyl n-propionate, Ethyl propanoate, Ethyl propionate, Ethylpropionate, FEMA 2456, Propanoic acid, ethyl ester, Propionic acid, ethyl ester, Ethyl N-propionate, Propionic acid ethyl ester, Ethyl N-propionic acid, Ethyl propanoic acid, Propionate ethyl ester, Ethyl propionic acid, Ethyl ester OF propanoic acid, ethyl propanoate, ethyl propanoate b, ethyl propionate |
| Substituent Name | Carboxylic acid ester, Monocarboxylic acid or derivatives, Ether, Hydrocarbon derivative, Organooxygen compound, Carbonyl group, Aliphatic acyclic compound |
| Esol Class | Very soluble |
| Functional Groups | COC(C)=O |
| Compound Name | Ethyl propionate |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 102.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 102.068 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 102.13 |
| 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 | -1.0375245999999998 |
| Inchi | InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3 |
| Smiles | CCC(=O)OCC |
| Nring | 0.0 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Carboxylic acid esters |
| Np Classifier Superclass | Fatty esters |
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FOUND_INto/from Olea Europaea (Plant) Rel Props:Source_db:fooddb_chem_all - 19. Outgoing r'ship
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