MOLECULE
Hexyl butyrate
Hexyl butyrate is a fatty acid ester obtained by the formal condensation of hexanol with butyric acid. It has a role as an animal metabolite. It is functionally related to a butyric acid and a hexan-1-ol.
Summary from ChEBI, via PubChem.
Identity
Chemistry
- Formula
- C10H20O2
- Molecular weight
- 172.26 g/mol
- IUPAC name
- hexyl butanoate
- InChIKey
- XAPCMTMQBXLDBB-UHFFFAOYSA-N
- SMILES
- CCCCCCOC(=O)CCC
- PubChem
- CID 17525 ↗
Provenance
Contributing sources
- PubChem
- ChEBI
- LOTUS
Natural occurrence
Found in
- Hog plum 2
- A. sellowiana 1
- Hemp 1
- Pepper 1
- C. iyo 1
- C. patens 1
- H. antasiaticum 1
- H. persicum 1
- H. stevenii 1
- Lavender 1
- Spike Lavendar 1
- Barbados cherry 1
- Wild crapemyrtle 1
- M. punicifolia 1
- Love Apple 1
- Mandrake 1
- Mango 1
- Tea Olive 1
- Passion fruit 1
- Oakleaf geranium 1
- Apricot 1
- P. bispina 1
- Pomegranate 1
- T. camphoratus 1
- T. willkommii 1
- Vanilla 1
26 organisms, ranked by how many independent papers report the compound in each. Occurrence data from LOTUS, across 24 references.
Reported associations
Disease associations
-
Solvents, acute toxic effect Acute Poisoning
Associations recorded for the compound itself. A metabolomics association means it was detected or studied in that condition, not that it treats or causes it; an occupational entry describes a hazard of exposure. Neither is a therapeutic claim about any product.
Evidence