Hexyl Butyrate
Chemical Information
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.
| CAS Number | 2639-63-6 |
| PubChem CID | 17525 |
| IUPAC Name | hexyl butanoate |
| Molecular Formula | C10H20O2 |
| Molecular Weight | 172.26 |
| XLogP | 3.3 |
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 8 |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 110 |
| Property | Value |
|---|---|
| Molecular Weight | 172.26 |
| XLogP3 | 3.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 8 |
| Exact Mass | 172.146329876 |
| Monoisotopic Mass | 172.146329876 |
| Topological Polar Surface Area | 26.3 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 110 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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