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CHEBI:37869 - octan-2-ol
| Formula | C8H18O |
| Net Charge | 0 |
| Average Mass | 130.231 |
| Monoisotopic Mass | 130.13577 |
| SMILES | CCCCCCC(C)O |
| InChI | InChI=1S/C8H18O/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3 |
| InChIKey | SJWFXCIHNDVPSH-UHFFFAOYSA-N |
| Wikipedia |
|---|
| Roles Classification |
|---|
| Biological Roles: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. volatile oil component Any plant metabolite that is found naturally as a component of a volatile oil. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| octan-2-ol (CHEBI:37869) has role plant metabolite (CHEBI:76924) |
| octan-2-ol (CHEBI:37869) has role volatile oil component (CHEBI:27311) |
| octan-2-ol (CHEBI:37869) is a octanol (CHEBI:37868) |
| octan-2-ol (CHEBI:37869) is a secondary alcohol (CHEBI:35681) |
| Incoming Relation(s) |
| (2R)-octan-2-ol (CHEBI:37871) is a octan-2-ol (CHEBI:37869) |
| (2S)-octan-2-ol (CHEBI:37870) is a octan-2-ol (CHEBI:37869) |
| IUPAC Name |
|---|
| octan-2-ol |
| Synonyms | Source |
|---|---|
| 2-octanol | NIST Chemistry WebBook |
| β-octyl alcohol | NIST Chemistry WebBook |
| n-octan-2-ol | NIST Chemistry WebBook |
| methylhexylcarbinol | ChemIDplus |
| 2-hydroxyoctane | NIST Chemistry WebBook |
| methyl hexyl carbinol | ChemIDplus |
| Manual Xrefs | Databases |
|---|---|
| 2-Octanol | Wikipedia |
| FDB003342 | FooDB |
| LMFA05000620 | LIPID MAPS |
| Citations |
|---|