2D Structure
3D Structure
| Properties | |
|---|---|
| PID | PID00174 |
| Mol. Weight | 170.252 g/mol |
| LogP | 3.43 |
| Water solubility | 0.000589 mol/L at 20 °C |
| Hydrogen Bond Donor | 0 |
| Hydrogen Bond Acceptor | 2 |
| Rotatable Bonds | 7 |
| XLogP3-AA | 3.4 |
| Identifiers | |
|---|---|
| Formula | C10H18O2 |
| PubChem CID | 5364399 |
| FEMA | 3643 |
| Flavor Profile | Fruit |
| Smiles | CCCCC/C=C/C(=O)OCC |
| InChl Key | AISZSTYLOVXFII-CMDGGOBGSA-N |
| InChl | InChI=1S/C10H18O2/c1-3-5-6-7-8-9-10(11)12-4-2/h8-9H,3-7H2,1-2H3/b9-8+ |
| CAS Registry Number | 7367-82-0, 2351-90-8 |
| IUPAC Systematic Name | ethyl (E)-oct-2-enoate |
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 |
|---|---|---|---|---|---|
| NONE | NONE | NONE | NONE | NONE | View Graph |
Ethyl 2-Octenoate is often used in food spice.
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. https://www.chemicalbook.com/ProductChemicalPropertiesCB5774168.htm