hexyl valerate (CAS 1117-59-5) — formula C11H22O2, molecular weight 186.29; category organic chemicals.
| CAS Number | 1117-59-5 |
|---|---|
| Molecular Formula | C11H22O2 |
| Molecular Weight | 186.29 |
| LogP | 3.8 |
| Category | Organic Chemicals |
hexyl valerate is a carbon-based organic compound with CAS registry number 1117-59-5 and molecular formula C11H22O2 (molecular weight 186.29), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 1117-59-5
Its molecular formula C11H22O2 comprises 11 C, 22 H, 2 O atoms.
Also known as: hexyl valerate · 戊酸己酯
Category: organic chemicals
The CAS registry number of hexyl valerate is 1117-59-5.
Molecular formula C11H22O2, molecular weight 186.29.
It is also registered under: hexyl valerate, 戊酸己酯.
Category: Organic Chemicals.
Independent reference data for hexyl valerate (CAS 1117-59-5), compiled from public chemistry databases.
| 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 |
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
| 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 · CAS 1117-59-5 · C11H22O2. UNII 4223QQU9RL.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 戊酸己酯