2D Structure
3D Structure
| Properties | |
|---|---|
| PID | PID00012 |
| Mol. Weight | 134.178 g/mol |
| LogP | 1.82 |
| Water solubility | Freely Sol In Alc, Ether, Other Common Organic Solvents; Sol In Water, Glycerol; Clearly Sol In 3 Vol 50% Alc |
| Hydrogen Bond Donor | 1 |
| Hydrogen Bond Acceptor | 1 |
| Rotatable Bonds | 2 |
| XLogP3 | 1.9 |
| Identifiers | |
|---|---|
| Formula | C9H10O |
| PubChem CID | 5315892 |
| FEMA | 2294 |
| Flavor Profile | Distinctive Odour Described As Sweet, Balsam, Hyacinth, Spicy, Green, Powdery, Cinnamic;Floral, Honey, Oil, Odor Of Hyacinth, Pleasant, Floral Odor, Bitter Taste |
| Smiles | OC/C=C/c1ccccc1 |
| InChl Key | OOCCDEMITAIZTP-QPJJXVBHSA-N |
| InChl | InChI=1S/C9H10O/c10-8-4-7-9-5-2-1-3-6-9/h1-7,10H,8H2/b7-4+ |
| CAS Registry Number | 104-54-1 |
| IUPAC Systematic Name | (E)-3-phenylprop-2-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 |
|---|---|---|---|---|---|
| Cassiabarktree Twig | Gui Zhi (桂枝) | Cinnamomi Ramulus | Warm, Pungent, Sweet | Lung, Bladder, Heart | View Graph |
| Oriental Sweetgum Resin | Su He Xiang (苏合香) | Styrax | Warm, Pungent | Lung, Spleen, Stomach | View Graph |
| Cassiabarktree | Rou Gui (肉桂) | Cinnamomi Cortex | Hot, Sweet, Pungent | Liver, Heart, Spleen, Kidney | View Graph |
Cinnamyl alcohol has a distinctive odour described as "sweet, balsam, hyacinth, spicy, green, powdery, cinnamic" and is used in perfumery and as a
deodorant. Cinnamyl alcohol was evaluated for irritation, at several dose levels, during the induction phase of an open epicutaneous test (OET).
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. Letizia C S, Cocchiara J, Lalko J, et al. Fragrance material review on cinnamyl alcohol[J]. Food and Chemical Toxicology, 2005, 43(6): 837-866.
2. https://en.wikipedia.org/wiki/Cinnamyl_alcohol