Ethyl formate
PubChem CID: 8025
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | ETHYL FORMATE, 109-94-4, Formic acid, ethyl ester, Areginal, Ethyl methanoate, Formic acid ethyl ester, Ethyl formic ester, Aethylformiat, Formic ether, Ethylformiaat, Mrowczan etylu, Carboxylic acid oxaethane, Ethyle (formiate d'), Etile (formiato di), Caswell No. 443A, Ethyl formate (natural), FEMA No. 2434, FEMA Number 2434, Ethylester kyseliny mravenci, HSDB 943, NSC 406578, Ethylformic ester, formiato de etilo, Ethyl ester of formic acid, EINECS 203-721-0, MFCD00003294, EPA Pesticide Chemical Code 043102, UNII-0K3E2L5553, CHEBI:52342, AI3-00407, 0K3E2L5553, NSC-406578, ethylformiat, DTXSID6040117, Etile(formiato di), Ethyle(formiate d'), WLN: VHO2, ETHYL FORMATE (USP-RS), ETHYL FORMATE [USP-RS], Ethylformiaat [Dutch], Aethylformiat [German], Mrowczan etylu [Polish], Etile (formiato di) [Italian], Ethyle (formiate d') [French], Ethylester kyseliny mravenci [Czech], UN1190, ethyl format, EtOCHO, HCOOEt, HCO2Et, Ethyl formate, 97%, Formic acid-ethyl ester, HCOOC2H5, ETHOXYCARBONYL GROUP, ETHYL FORMATE [MI], ETHYL FORMATE (DOT), ETHYL FORMATE [FCC], ETHYL FORMATE [FHFI], ETHYL FORMATE [HSDB], CHEMBL44215, FEMA NUMBER 2434., FORMIC ACID,ETHYL ESTER, Ethyl formate, puriss., 95%, DTXCID4020117, METHANOIC ACID ETHYL ESTER, NSC8828, Ethyl formate, analytical standard, NSC-8828, Ethyl formate, reagent grade, 97%, NSC406578, STL185644, Ethyl formate, >=97%, FCC, FG, AKOS009028849, Ethyl formate, natural, >=95%, FG, UN 1190, DB-040890, F0053, F0085, NS00005018, EN300-19211, Ethyl formate [UN1190] [Flammable liquid], Ethyl formate, SAJ special grade, >=97.0%, Q422777, InChI=1/C3H6O2/c1-2-5-3-4/h3H,2H2,1H, F0001-0209, Ethyl formate, United States Pharmacopeia (USP) Reference Standard, 203-721-0 |
|---|---|
| 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 |
| Heavy Atom Count | 5.0 |
| Classyfire Class | Carboxylic acids and derivatives |
| Description | Found in various foods, e.g. cooked apple, orange juice, pineapple, other fruits, raw cabbage, coffee, black tea, wheat bread, white clover, sorghum. It is used as a flavouring agent. |
| Classyfire Subclass | Carboxylic acid derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 26.1 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | ethyl formate |
| Class | Carboxylic acids and derivatives |
| Veber Rule | True |
| Classyfire Superclass | Organic acids and derivatives |
| Xlogp | 0.5 |
| Superclass | Organic acids and derivatives |
| Subclass | Carboxylic acid derivatives |
| Gsk 4 400 Rule | True |
| Molecular Formula | C3H6O2 |
| Inchi Key | WBJINCZRORDGAQ-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| State | Liquid |
| Synonyms | Aethylformiat, Areginal, Carboxylate oxaethane, Carboxylic acid oxaethane, Ethyl ester of formic acid, Ethyl formic ester, Ethyl methanoate, Ethyl methanoic acid, Ethyle (formiate d'), Ethyle (formiic acid d'), Ethylformiaat, Ethylformic ester, Formate, ethyl ester, Formiato de etilo, Formic acid ethyl ester, Formic acid, ethyl ester, Formic ether, Ethyl formic acid, Ethyl ester OF formic acid, ethyl formate, ethyl formate, ethyl formate b, ethyl formate* |
| Substituent Name | Carboxylic acid ester, Ether, Hydrocarbon derivative, Organooxygen compound, Aliphatic acyclic compound |
| Esol Class | Very soluble |
| Functional Groups | COC=O |
| Compound Name | Ethyl formate |
| Kingdom | Organic compounds |
| Exact Mass | 74.0368 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 74.0368 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 74.08 |
| 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 |
| Inchi | InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3 |
| Smiles | CCOC=O |
| 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 |
- 1. Outgoing r'ship
FOUND_INto/from Ananas Comosus (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Campsis Grandiflora (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730040304 - 3. Outgoing r'ship
FOUND_INto/from Carica Papaya (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1248 - 4. Outgoing r'ship
FOUND_INto/from Citrus Japonica (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2005.9698819 - 5. Outgoing r'ship
FOUND_INto/from Erigeron Canadensis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1992.9698053 - 6. Outgoing r'ship
FOUND_INto/from Hierochloe Odorata (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730060108 - 7. Outgoing r'ship
FOUND_INto/from Malus Domestica (Plant) Rel Props:Source_db:fooddb_chem_all - 8. Outgoing r'ship
FOUND_INto/from Plumeria Rubra (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730060407 - 9. Outgoing r'ship
FOUND_INto/from Polygala Senega (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730100408 - 10. Outgoing r'ship
FOUND_INto/from Taxus Wallichiana (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644112 - 11. Outgoing r'ship
FOUND_INto/from Telosma Cordata (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730080410