2D Structure
3D Structure
| Properties | |
|---|---|
| PID | PID00180 |
| Mol. Weight | 100.161 g/mol |
| LogP | 1.33 |
| Water solubility | 0.158 mol/L at 20 °C |
| Hydrogen Bond Donor | 1 |
| Hydrogen Bond Acceptor | 1 |
| Rotatable Bonds | 3 |
| XLogP3-AA | 1.2 |
| Identifiers | |
|---|---|
| Formula | C6H12O |
| PubChem CID | 641248 |
| FEMA | 3430 |
| Flavor Profile | Green |
| Smiles | C/C=C/CCCO |
| InChl Key | VTIODUHBZHNXFP-NSCUHMNNSA-N |
| InChl | InChI=1S/C6H12O/c1-2-3-4-5-6-7/h2-3,7H,4-6H2,1H3/b3-2+ |
| CAS Registry Number | 6126-50-7, 928-91-6, 928-92-7 |
| IUPAC Systematic Name | (E)-hex-4-en-1-ol |
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 |
4-Hexen-1-Ol is evaluated for genotoxicity,not genotoxic ,have skin sensitization potential.occur in the Banana,Tomato.not genotoxicity,does not cause skin sensitization not phototoxicity or photoallergenicity,etc.
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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.Api A M, Belsito D, Botelho D, et al. RIFM fragrance ingredient safety assessment, 4-Hexen-1-ol,(4Z)-, CAS Registry Number 928-91-6[J]. Food and Chemical Toxicology, 2017.