3-octanone
A dialkyl ketone that is octane in which the two methylene protons at position 3 have been replaced by an oxo group. — ChEBI
Safety documents & references
1 indexed referencesFind a product-specific SDS
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Identity & molecular properties
Source-linked values| CAS number | 106-68-3 | ChEBI ↗ |
| Molecular formula | C8H16O | ChEBI ↗ |
| Molar mass | 128.215 g/mol | ChEBI ↗ |
| Monoisotopic mass | 128.12012 Da | ChEBI ↗ |
| Formal charge | 0 | ChEBI ↗ |
| ChEBI identifier | CHEBI:80946 | ChEBI ↗ |
Names & structural identifiers
Copy any identifier3-octanoneoctan-3-oneRHLVCLIPMVJYKS-UHFFFAOYSA-NCCCCCC(=O)CCInChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h3-7H2,1-2H3Names & synonyms
Names are supplied by ChEBI. Trade names and related synonyms may describe a broader product context.
Classification & relationships
ChEBI ontologyRoles recorded in ChEBI
Database role annotations describe reported biological or chemical roles; they are not product approvals or recommendations for use.
Safety classification · Japan
NITE / Japanese governmentOctan-3-one; Ethyl amyl ketone · 22A4036
| Endpoint | Reported classification |
|---|---|
| Flammable liquids | Category 3 |
| Skin corrosion/irritation | Category 2 |
Selected source-reported endpoints. Other endpoints, rationales and conditions remain in the original classification. Missing or unlisted information does not mean non-hazardous. This is not a global classification or transport decision.
Read the original NITE classificationMass ↔ amount of substance
Calculated from sourced massUses 128.215 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.