2D Structure
3D Structure
| Properties | |
|---|---|
| PID | PID00166 |
| Mol. Weight | 72.107 g/mol |
| LogP | 1.2 |
| Water solubility | In water, 89,000 mg/l |
| Hydrogen Bond Donor | 0 |
| Hydrogen Bond Acceptor | 1 |
| Rotatable Bonds | 1 |
| XLogP3-AA | 0.8 |
| Identifiers | |
|---|---|
| Formula | C4H8O |
| PubChem CID | 6561 |
| FEMA | 2220 |
| Flavor Profile | Pungent Odor, Extremely Sharp, Fruity Taste; Burnt, Caramel, Cocoa, Green, Malt |
| Smiles | CC(C)C=O |
| InChl Key | AMIMRNSIRUDHCM-UHFFFAOYSA-N |
| InChl | InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3 |
| CAS Registry Number | 78-84-2 |
| IUPAC Systematic Name | 2-methylpropanal |
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 |
|---|---|---|---|---|---|
| Wild Mint | Bo He (薄荷) | Menthae Haplocalycis Herba | Cool, Pungent | Liver, Lung | View Graph |
| Bush Redpepper | La Jiao (辣椒) | Capsici Fructus | Hot, Pungent | Lung, Spleen, Stomach, Heart, Kidney | View Graph |
| Chinese Ephedra Equivalent plant: Ephedra equiseti | Ma Huang (麻黄) | Ephedrae Herba | Warm, Pungent, Slightly Bitter | Lung, Bladder | View Graph |
Isobutyraldehyde is a precursor for the synthesis of other chemicals,isobutyraldehyde can be readily converted to various hydrocarbons currently derived from petroleum,co-catalyst,an aldehyde, isomeric with n-butyraldehyde (butanal),its odour is described as that of wet cereal or straw,can also be produced using engineered bacteria,is produced industrially by the hydroformylation of propene,etc.
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.Atsumi S, Higashide W, Liao J C. Direct photosynthetic recycling of carbon dioxide to isobutyraldehyde[J]. Nature biotechnology, 2009, 27(12): 1177.
2.Rahimi R, Gholamrezapor E, Naimi-jamal M R. Oxidation of benzyl alcohols to the corresponding carbonyl compounds catalyzed by copper (II) meso-tetra phenyl porphyrin as cytochrome P-450 model reaction[J]. Inorganic Chemistry Communications, 2011, 14(10): 1561-1568.
3.Jiang B S, Chang R, Hou Y C, et al. Kinetics of n-Butanol Partial Oxidation to Butyraldehyde over LanthanumCTransition Metal Perovskites[J]. Industrial & Engineering Chemistry Research, 2012, 51(43): 13993-13998