2D Structure
3D Structure
| Properties | |
|---|---|
| PID | PID00147 |
| Mol. Weight | 86.09 g/mol |
| LogP | 0.4 |
| Water solubility | 1.51 mol/L at 20 °C |
| Hydrogen Bond Donor | 0 |
| Hydrogen Bond Acceptor | 2 |
| Rotatable Bonds | 1 |
| XLogP3 | -1.3 |
| Identifiers | |
|---|---|
| Formula | C4H6O2 |
| PubChem CID | 650 |
| FEMA | 2370 |
| Flavor Profile | Quinone Odor; Vapors Have A Chlorine-Like Odor, Very Strong Buttery Odor In Dilute Solution; Sweet, Buttery, Creamy And Milky; Butter, Pastry, Yeast |
| Smiles | CC(=O)C(C)=O |
| InChl Key | QSJXEFYPDANLFS-UHFFFAOYSA-N |
| InChl | InChI=1S/C4H6O2/c1-3(5)4(2)6/h1-2H3 |
| CAS Registry Number | 431-03-8 |
| IUPAC Systematic Name | butane-2,3-dione |
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 |
|---|---|---|---|---|---|
| Bush Redpepper | La Jiao (辣椒) | Capsici Fructus | Hot, Pungent | Lung, Spleen, Stomach, Heart, Kidney | View Graph |
Diacetyl (IUPAC systematic name: butanedione or butane-2,3-dione) is an organic compound with the chemical formula (CH3CO)2. It is a yellow or green liquid
with an intensely buttery flavor. It is a vicinal diketone (two C=O groups, side-by-side) with the molecular formula C4H6O2. Diacetyl occurs naturally in
alcoholic beverages and is added to some foods to impart its buttery flavor.
Diacetyl (DA, 2,3-butanedione) is a volatile flavour compound, naturally produced by bacteria and yeast, and commonly known for its characteristic
“butter-scotch” aroma. In wholemeal flour, two of the most distinguishing compounds are 2,3-butanedione (C23, C4H6O2) - an important odor-active molecule
in fresh rye flour39 - and methylsulphanylmethane (C27, C2H5O2), which had previously been found to be present in large quantities in the modern varieties
of spring wheat.
2,3-butanedione is a naturally occurring chemical that gives butter its characteristic aroma and taste and that is produced industrially for use as a butter
flavoring. 2,3-butanedione) that can also inhibit the aversive CO2 receptor.
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://en.wikipedia.org/wiki/Diacetyl
2.Zimmerman J B , Anastas P T . Toward substitution with no regrets[J]. Science, 347.