Hexyl hexanoate
A hexanoate ester obtained by the formal condensation of the carboxy group of hexanoic acid (caproic acid) with hexan-1-ol. It is a constituent found in passion fruit, apples, strawberries and wine. — ChEBI
Safety documents & references
Supplier matching mattersFind the safety document for your specific supplier, product number and grade.
Find a product-specific SDS
Safety guides and government classification records are not a manufacturer’s SDS. Match supplier, product number, concentration, physical form, region and revision before using a document.
Identity & molecular properties
Source-linked values| CAS number | 6378-65-0 | ChEBI ↗ |
| Molecular formula | C12H24O2 | ChEBI ↗ |
| Molar mass | 200.322 g/mol | ChEBI ↗ |
| Monoisotopic mass | 200.17763 Da | ChEBI ↗ |
| Formal charge | 0 | ChEBI ↗ |
| ChEBI identifier | CHEBI:156492 | ChEBI ↗ |
Cross-source molecular data
PubChem| Molar mass | 200.32 g/mol | PubChem ↗ |
| Exact mass | 200.177630004 Da | PubChem ↗ |
| Computed XLogP | 4.4 | PubChem ↗ |
| Topological polar surface area (Ų) | 26.3 | PubChem ↗ |
| H-bond donors | 0 | PubChem ↗ |
| H-bond acceptors | 2 | PubChem ↗ |
| Rotatable bonds | 10 | PubChem ↗ |
PubChem computed values are shown separately from the ChEBI record. An exact InChIKey match was used to connect the records. Molecular descriptors do not describe a supplied product’s purity, particle size or performance.
Names & structural identifiers
Copy any identifierhexyl hexanoatehexyl hexanoateNCDCLPBOMHPFCV-UHFFFAOYSA-NCCCCCCOC(=O)CCCCCInChI=1S/C12H24O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h3-11H2,1-2H3Classification & 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 200.322 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.
Elemental composition
Theoretical mass fractionsCOHCalculated 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.