Octan-3-ol
A secondary alcohol that is octane substituted by a hydroxy group at position 3. — ChEBI
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Identity & molecular properties
Source-linked values| CAS number | 589-98-0 | ChEBI ↗ |
| Molecular formula | C8H18O | ChEBI ↗ |
| Molar mass | 130.231 g/mol | ChEBI ↗ |
| Monoisotopic mass | 130.13577 Da | ChEBI ↗ |
| Formal charge | 0 | ChEBI ↗ |
| ChEBI identifier | CHEBI:80945 | ChEBI ↗ |
Names & structural identifiers
Copy any identifieroctan-3-oloctan-3-olNMRPBPVERJPACX-UHFFFAOYSA-NCCCCCC(O)CCInChI=1S/C8H18O/c1-3-5-6-7-8(9)4-2/h8-9H,3-7H2,1-2H3Classification & relationships
ChEBI ontologyRoles recorded in ChEBI
Database role annotations describe reported biological or chemical roles; they are not product approvals or recommendations for use.
Mass ↔ amount of substance
Calculated from sourced massUses 130.231 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.
Elemental composition
Theoretical mass fractionsCHOCalculated theoretical mass fractions from the reported formula and PubChem periodic-table atomic masses. These are not assay or purity results.
Research & patent references
Selected source associationsSources & record history
Checked 27 Sep 2026Release 255, 9 September 2026. ChEBI three-star (manually annotated) source entry. View original record ↗ · CC BY 4.0
PubCAS formats source data, connects references and computes explicitly labelled conversions. CAS cross-references are supplied by ChEBI; they do not constitute CAS verification or endorsement.