2D Structure
3D Structure
| Properties | |
|---|---|
| PID | PID00066 |
| Mol. Weight | 116.16 g/mol |
| LogP | None |
| Water solubility | 1000 mg/mL at 25 °C |
| Hydrogen Bond Donor | 1 |
| Hydrogen Bond Acceptor | 2 |
| Rotatable Bonds | 3 |
| XLogP3-AA | -0.2 |
| Identifiers | |
|---|---|
| Formula | C6H12O2 |
| PubChem CID | 31256 |
| FEMA | - |
| Flavor Profile | FAINT PLEASANT ODOR, Minty odor |
| Smiles | CC(=O)CC(C)(C)O |
| InChl Key | SWXVUIWOUIDPGS-UHFFFAOYSA-N |
| InChl | InChI=1S/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3 |
| CAS Registry Number | 123-42-2 |
| IUPAC Systematic Name | 4-hydroxy-4-methylpentan-2-one |
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 |
|---|---|---|---|---|---|
| Lysimachia foenum-graecum Hance | Ling Ling Xiang(零陵香) | Lingling incense | Warm, Pungent, Sweet | Lung | View Graph |
| Glutinous Rice root | Nuo Dao Gen (糯稻根) | Radix Oryzae Glutinosae | NONE | NONE | View Graph |
Diacetone alcohol is a chemical compound with the formula CH3C(O)CH2C(OH)(CH3)2, sometimes called DAA. This liquid is a common synthetic intermediate used for the preparation of other compounds, and is also used as a solvent.It is used in cellulose ester lacquers, particularly of the brushing type, where it produces brilliant gloss and hard film and where its lack of odor is desirable. It is used in lacquer thinners, dopes, wood stains, wood preservatives and printing pastes; in coating compositions for paper and textiles; permanent markers;in making artificial silk and leather; in imitation gold leaf; in celluloid cements; as a preservative for animal tissue; in metal cleaning compounds; in the manufacture of photographic film; and in hydraulic brake fluids, where it is usually mixed with an equal volume of castor oil.
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/Diacetone_alcohol
2. "Household products database" US Department of Health and Human Services.