EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:52774 - pentane-2,3-dione
| Formula | C5H8O2 |
| Net Charge | 0 |
| Average Mass | 100.117 |
| Monoisotopic Mass | 100.05243 |
| SMILES | CCC(=O)C(C)=O |
| InChI | InChI=1S/C5H8O2/c1-3-5(7)4(2)6/h3H2,1-2H3 |
| InChIKey | TZMFJUDUGYTVRY-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Biological Role: | flavouring agent A food additive that is used to added improve the taste or odour of a food. |
| Application: | flavouring agent A food additive that is used to added improve the taste or odour of a food. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| pentane-2,3-dione (CHEBI:52774) has parent hydride pentane (CHEBI:37830) |
| pentane-2,3-dione (CHEBI:52774) has role flavouring agent (CHEBI:35617) |
| pentane-2,3-dione (CHEBI:52774) is a methyl ketone (CHEBI:51867) |
| pentane-2,3-dione (CHEBI:52774) is a α-diketone (CHEBI:51869) |
| IUPAC Name |
|---|
| pentane-2,3-dione |
| Synonyms | Source |
|---|---|
| Acetyl propionyl | ChemIDplus |
| Acetylpropionyl | ChemIDplus |
| 2,3-Pentanedione | ChemIDplus |
| ethyl methyl diketone | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| HMDB0031598 | HMDB |
| Citations |
|---|