4-Ethyloctanoic acid (CAS 16493-80-4) — formula C10H20O2, molecular weight 172.26; category organic chemicals.
| CAS Number | 16493-80-4 |
|---|---|
| Molecular Formula | C10H20O2 |
| Molecular Weight | 172.26 |
| Boiling Point | 110.00 °C. @ 1.00 mm Hg |
| LogP | 3.6 |
| Applications | Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: Octanoic acid, 4-ethyl-: ACTIVE |
| Category | Organic Chemicals |
Documented applications: Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: Octanoic acid, 4-ethyl-: ACTIVE.
4-Ethyloctanoic acid is a carbon-based organic compound with CAS registry number 16493-80-4 and molecular formula C10H20O2 (molecular weight 172.26), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 16493-80-4
Its molecular formula C10H20O2 comprises 10 C, 20 H, 2 O atoms.
Also known as: 4-Ethyloctanoic acid · 4-乙基辛酸
Category: organic chemicals
The CAS registry number of 4-Ethyloctanoic acid is 16493-80-4.
Molecular formula C10H20O2, molecular weight 172.26.
It is also registered under: 4-Ethyloctanoic acid, 4-乙基辛酸.
Recorded applications: Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: Octanoic acid, 4-ethyl-: ACTIVE.
Category: Organic Chemicals.
Independent reference data for 4-Ethyloctanoic acid (CAS 16493-80-4), compiled from public chemistry databases.
| CAS Registry Number | 16493-80-4 |
|---|---|
| PubChem CID | 61840 |
| Molecular formula | C10H20O2 |
| IUPAC name | 4-ethyloctanoic acid |
| UNII (FDA) | F9ESD8LYSQ |
| FEMA number | 3800 |
| JECFA number | 1218 |
| Molecular Weight | 172.26 |
|---|---|
| XLogP3 | 3.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 7 |
| Exact Mass | 172.146329876 |
| Monoisotopic Mass | 172.146329876 |
| Topological Polar Surface Area | 37.3 |
| Heavy Atom Count | 12 |
| Boiling Point | 110.00 °C. @ 1.00 mm Hg |
|---|---|
| Boiling Point | 110 °C (1 mm Hg) |
| Density | 0.898-0.908 |
| Refractive Index | 1.430-1.439 |
4-Ethyloctanoic acid; 16493-80-4; Octanoic acid, 4-ethyl-; 4-Ethylcaprylic acid; F9ESD8LYSQ; FEMA NO. 3800; DTXSID40864683; RefChem:98908; DTXCID40813171; 240-560-5; MFCD00506494; SCHEMBL180777; FEMA 3800; CHEBI:179551; LMFA01030983; s6039
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Savory No safety concern at current levels of intake when used as a flavouring agent |
|---|
| Reported hazard statements | H315 (100%), H319 (100%) |
|---|
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
4-Ethyloctanoic acid · CAS 16493-80-4 · C10H20O2. UNII F9ESD8LYSQ. Boiling Point: 110.00 °C. @ 1.00 mm Hg; Boiling Point: 110 °C (1 mm Hg); Density: 0.898-0.908.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 4-乙基辛酸