2D Structure
3D Structure
| Properties | |
|---|---|
| PID | PID00107 |
| Mol. Weight | 196.29 g/mol |
| LogP | 2.94 |
| Water solubility | 0.000977 mol/L at 20 °C |
| Hydrogen Bond Donor | 0 |
| Hydrogen Bond Acceptor | 2 |
| Rotatable Bonds | 6 |
| XLogP3-AA | 3.5 |
| Identifiers | |
|---|---|
| Formula | C12H20O2 |
| PubChem CID | 1549026 |
| FEMA | 2509 |
| Flavor Profile | Sweet, Fruity-Floral, Rosy, Somewhat Green And Remotely Lavender-Like Odor Of Moderate Tenacity, Sweet, Fragrant Odor; Sweet, Fruity, Overall Nondescript Taste With Notes Resembling Those Of Banana, Pear, Apple And Peach, But Not A Purely Sweet Aftertaste; Lavender, Rose. |
| Smiles | CC(=O)OC/C=C(\C)CCC=C(C)C |
| InChl Key | HIGQPQRQIQDZMP-DHZHZOJOSA-N |
| InChl | InChI=1S/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3/b11-8+ |
| CAS Registry Number | 105-87-3, 16409-44-2, 68311-13-7, 33843-18-4 |
| IUPAC Systematic Name | [(2E)-3,7-dimethylocta-2,6-dienyl] acetate |
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 |
|---|---|---|---|---|---|
| Bunge Pricklyash Equivalent plant: Zanthoxylum sch | Hua Jiao (花椒) | Zanthoxyli Pericarpium | Warm,Pungent | Spleen, Stomach, Kidney, Lung | View Graph |
Geranyl acetate is a natural organic compound that is classified as a monoterpene. It is a colorless liquid with a pleasant floral or fruity rose aroma. Its condensed liquid has a slightly yellow color. Geranyl acetate is insoluble in water, but soluble in some organic solvents such as alcohol and oil.Geranyl acetate is a natural constituent of more than 60 essential oils, including Ceylon citronella, palmarosa, lemon grass, petit grain, neroli, geranium, coriander, carrot, Camden woollybutt, and sassafras. It can be obtained by fractional distillation of essential oils.Geranyl acetate is an ester that can be prepared semi-synthetically by the simple condensation of the more common natural terpene geraniol with acetic acid.
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. http://www.thegoodscentscompany.com/data/rw1030091.html
2. https://en.wikipedia.org/wiki/Geranyl_acetate