2D Structure
3D Structure
| Properties | |
|---|---|
| PID | PID00163 |
| Mol. Weight | 144.214 g/mol |
| LogP | 1.97 |
| Water solubility | 0.129 mol/L at 20 °C |
| Hydrogen Bond Donor | 1 |
| Hydrogen Bond Acceptor | 2 |
| Rotatable Bonds | 5 |
| XLogP3 | 1.4 |
| Identifiers | |
|---|---|
| Formula | C8H16O2 |
| PubChem CID | 219794 |
| FEMA | 2587 |
| Flavor Profile | Dairy |
| Smiles | CCCC(=O)C(O)CCC |
| InChl Key | BVEYJWQCMOVMAR-UHFFFAOYSA-N |
| InChl | InChI=1S/C8H16O2/c1-3-5-7(9)8(10)6-4-2/h7,9H,3-6H2,1-2H3 |
| CAS Registry Number | 496-77-5, 116296-89-0 |
| IUPAC Systematic Name | 5-hydroxyoctan-4-one |
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 |
5-Hydroxyoctan-4-One is light yellow liquid.Sweet, slightly pungent aromas of cream and cardamom, with a sweet creamy, oily taste.Boiling point of 182 and 80 ~ 82 (1333 pa).It's almost insoluble in water, it's soluble in ethanol.
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/ProductChemicalPropertiesCB8484428.htm