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hexyl valerate · CAS 1117-59-5 · C11H22O2. UNII 4223QQU9RL.
| CAS Registry Number | 1117-59-5 |
|---|---|
| PubChem CID | 70694 |
| Molecular formula | C11H22O2 |
| IUPAC name | hexyl pentanoate |
| UNII (FDA) | 4223QQU9RL |
| Molecular Weight | 186.29 |
|---|---|
| XLogP3 | 3.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 9 |
| Exact Mass | 186.161979940 |
| Monoisotopic Mass | 186.161979940 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Regulatory & Food Contact | EU Flavoring substances Flavoring Agents |
|---|---|
| GHS notification summary | 100% (235 / 235) |
| GHS notification summary | 100% (235 / 235) |
|---|
This chemical does not meet GHS hazard criteria for 100% (235 of 235) of all reports.
Reported as not meeting GHS hazard criteria by 235 of 235 companies. For more detailed information, please visit ECHA C&L website.
Hexyl valerate; Hexyl pentanoate; Hexyl n-valerate; Pentanoic acid, hexyl ester; n-Hexyl valerate; 1-hexyl pentanoate; 4223QQU9RL; EINECS 214-248-4; NSC 21861; NSC-21861; UNII-4223QQU9RL; AI3-30516; DTXSID3061502; 1Hexyl nvalerate; Hexyl valeric acid; Hexyl pentanoic acid
CAS 1117-59-5; molecular formula C11H22O2; molecular weight — g/mol.
Hexyl valerate, Hexyl pentanoate, Hexyl n-valerate, Pentanoic acid, hexyl ester, n-Hexyl valerate, 1-hexyl pentanoate.
Documented regulatory listings: EU Flavoring substances; Flavoring Agents.
100% of GHS notifications report no hazard classification (235 of 235).
Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.