MOLECULE
Hexyl hexanoate
Hexyl hexanoate is 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. It has a role as a volatile oil component, a flavouring agent, a fragrance and a plant metabolite. It is functionally related to a hexan-1-ol.
Summary from ChEBI, via PubChem.
Identity
Chemistry
- Formula
- C12H24O2
- Molecular weight
- 200.32 g/mol
- IUPAC name
- hexyl hexanoate
- InChIKey
- NCDCLPBOMHPFCV-UHFFFAOYSA-N
- SMILES
- CCCCCCOC(=O)CCCCC
- PubChem
- CID 22873 ↗
Provenance
Contributing sources
- PubChem
- ChEBI
- LOTUS
Natural occurrence
Found in
- Green Tree Ant 2
- Hog plum 2
- A. sellowiana 1
- B. carteri 1
- Frankincense 1
- Tea 1
- Hemp 1
- Pepper 1
- C. incana 1
- H. antasiaticum 1
- H. persicum 1
- Mango 1
- Passion fruit 1
- Apricot 1
- P. bispina 1
- Mediterranean hartwort 1
16 organisms, ranked by how many independent papers report the compound in each. Occurrence data from LOTUS, across 17 references.
Evidence