4-乙基辛酸（CAS 16493-80-4）：分子式 C10H20O2、分子量 172.26。
| CAS号 | 16493-80-4 |
|---|---|
| 分子式 | C10H20O2 |
| 分子量 | 172.26 |
| 沸点 | 110.00 °C. @ 1.00 mm Hg |
| LogP | 3.6 |
| 应用领域 | Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、General Manufacturing Information: Octanoic acid、4-ethyl-: ACTIVE |
登记用途：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-乙基辛酸 是一种化工化合物，登记 CAS 号为 16493-80-4，分子式 C10H20O2（分子量 172.26）。
登记 CAS 号：16493-80-4
其分子式 C10H20O2 由 10 个碳、20 个氢、2 个氧 组成。
别名/同义词：4-乙基辛酸 · 4-Ethyloctanoic acid
4-乙基辛酸 的 CAS 登记号为 16493-80-4。
分子式 C10H20O2，分子量 172.26。
别名/同义词：4-乙基辛酸、4-Ethyloctanoic acid。
登记用途：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-乙基辛酸（CAS 16493-80-4）的独立参考数据，整理自公开化学数据库。
| 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.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: 4-Ethyloctanoic acid