2D Structure
3D Structure
| Properties | |
|---|---|
| PID | PID00175 |
| Mol. Weight | 130.187 g/mol |
| LogP | 1.84 |
| Water solubility | 0.0331 mol/L at 20 °C |
| Hydrogen Bond Donor | 0 |
| Hydrogen Bond Acceptor | 2 |
| Rotatable Bonds | 4 |
| XLogP3-AA | 1.7 |
| Identifiers | |
|---|---|
| Formula | C7H14O2 |
| PubChem CID | 61184 |
| FEMA | 2935 |
| Flavor Profile | Fruit, Pungent |
| Smiles | CCCC(=O)OC(C)C |
| InChl Key | FFOPEPMHKILNIT-UHFFFAOYSA-N |
| InChl | InChI=1S/C7H14O2/c1-4-5-7(8)9-6(2)3/h6H,4-5H2,1-3H3 |
| CAS Registry Number | 638-11-9 |
| IUPAC Systematic Name | propan-2-yl butanoate |
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 |
Isopropyl Butyrate is a colourless liquid.Fruity and butyric acid like odour.The boiling point of 130 ~ 131 , flash point 30 .Insoluble in water, soluble in ethanol and oils. Natural products exist in apricot, kumquat peel oil, papaya, strawberry, wine and so on.
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.
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3. https://www.chemicalbook.com/ProductChemicalPropertiesCB1394201.htm