2D Structure
3D Structure
| Properties | |
|---|---|
| PID | PID00164 |
| Mol. Weight | 74.079 g/mol |
| LogP | 0.23 |
| Water solubility | in water, 10.5g/100ml |
| Hydrogen Bond Donor | 0 |
| Hydrogen Bond Acceptor | 2 |
| Rotatable Bonds | 2 |
| XLogP3 | 0.5 |
| Identifiers | |
|---|---|
| Formula | C3H6O2 |
| PubChem CID | 8025 |
| FEMA | 2434 |
| Flavor Profile | Flavor Profile: Fruity Odor, Slightly Bitter Taste; Pungent |
| Smiles | CCOC=O |
| InChl Key | WBJINCZRORDGAQ-UHFFFAOYSA-N |
| InChl | InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3 |
| CAS Registry Number | 109-94-4 |
| IUPAC Systematic Name | ethyl formate |
Organ Location Map/System Distribution of Pungent Flavor Compounds’ Targets
Note: Known Targets (Gene) from 6952 literatures, DrugBank (http://www.drugbank.ca/), STITCH (http://stitch.embl.de/), ChEMBL (https://www.ebi.ac.uk/chembl/), Therapeutic Target Database (http://bidd.nus.edu.sg/group/ttd/), and Comparative Toxicogenomics Database (CTD, http://ctdbase.org/)
| English Name | Pinyin Name (Chinese Name) | Latin Name | Properties in TCM | merdians | View Graph |
|---|---|---|---|---|---|
| Villous Amomum Equivalent plant: Amomum xanthioide | Sha Ren (砂仁) | Amomi Fructus | Warm, Pungent | Lung, Spleen, Stomach | View Graph |
Ethyl formate is an ester formed when ethanol (an alcohol) reacts with formic acid, has the characteristic smell of rum, can irritate eyes, skin, mucous membranes, and the respiratory system of humans and other animals,it is also a central nervous system depressant,can be used as a substitute for acetone,used as an intermediate product in the synthesis of vitamin B i,etc.
Note: Click anywhere in the blank, you can drag the whole dynamic diagram. Click on a node, you can drag his location to see it more clearly. The blue circle represents pharmacology, toxicology, or daily use. Orange hexagon represents the pungent compounds.
1.Page A, Imas L D, Muehlschlegel F. Customization based on physiological data: U.S. Patent 9,690,368[P]. 2017-6-27.