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CHEBI:36742 - p-menthan-3-one
| Formula | C10H18O |
| Net Charge | 0 |
| Average Mass | 154.253 |
| Monoisotopic Mass | 154.13577 |
| SMILES | CC1CCC(C(C)C)C(=O)C1 |
| InChI | InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3 |
| InChIKey | NFLGAXVYCFJBMK-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Biological Roles: | volatile oil component Any plant metabolite that is found naturally as a component of a volatile oil. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| p-menthan-3-one (CHEBI:36742) has role plant metabolite (CHEBI:76924) |
| p-menthan-3-one (CHEBI:36742) has role volatile oil component (CHEBI:27311) |
| p-menthan-3-one (CHEBI:36742) is a p-menthane monoterpenoid (CHEBI:25186) |
| Incoming Relation(s) |
| isomenthone (CHEBI:36493) is a p-menthan-3-one (CHEBI:36742) |
| menthone (CHEBI:36503) is a p-menthan-3-one (CHEBI:36742) |
| IUPAC Name |
|---|
| 5-methyl-2-(propan-2-yl)cyclohexanone |
| Synonyms | Source |
|---|---|
| 2-isopropyl-5-methylcyclohexanone | NIST Chemistry WebBook |
| 5-methyl-2-(1-methylethyl)cyclohexanone | NIST Chemistry WebBook |
| 5-methyl-2-(isopropyl)cyclohexanone | NIST Chemistry WebBook |
| p-menthan-3-one | IUPAC |
| Registry Numbers | Sources |
|---|---|
| Gmelin:637156 | Gmelin |
| Beilstein:774527 | Beilstein |
| Reaxys:774527 | Reaxys |
| CAS:10458-14-7 | ChemIDplus |
| CAS:10458-14-7 | NIST Chemistry WebBook |
| Citations |
|---|