异己酸乙酯（CAS 25415-67-2）：分子式 C8H16O2、分子量 144.21。
| CAS号 | 25415-67-2 |
|---|---|
| 分子式 | C8H16O2 |
| 分子量 | 144.21 |
| 沸点 | 160.00 to 163.00 °C. @ 760.00 mm Hg |
| LogP | 2.1 |
| 应用领域 | Use Classification: Flavoring Agents -> JECFA Flavorings Index、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、General Manufacturing Information: Pentanoic acid、4-methyl-、ethyl ester: INACTIVE |
登记用途：Use Classification: Flavoring Agents -> JECFA Flavorings Index、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、General Manufacturing Information: Pentanoic acid、4-methyl-、ethyl ester: INACTIVE。
异己酸乙酯 是一种化工化合物，登记 CAS 号为 25415-67-2，分子式 C8H16O2（分子量 144.21）。
登记 CAS 号：25415-67-2
其分子式 C8H16O2 由 8 个碳、16 个氢、2 个氧 组成。
别名/同义词：异己酸乙酯 · ethyl isocaproate
异己酸乙酯 的 CAS 登记号为 25415-67-2。
分子式 C8H16O2，分子量 144.21。
别名/同义词：异己酸乙酯、ethyl isocaproate。
登记用途：Use Classification: Flavoring Agents -> JECFA Flavorings Index、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、General Manufacturing Information: Pentanoic acid、4-methyl-、ethyl ester: INACTIVE。
异己酸乙酯（CAS 25415-67-2）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 25415-67-2 |
|---|---|
| PubChem CID | 117477 |
| Molecular formula | C8H16O2 |
| IUPAC name | ethyl 4-methylpentanoate |
| UNII (FDA) | DZX6U00Q87 |
| FEMA number | 4343 |
| JECFA number | 2283 |
| Molecular Weight | 144.21 |
|---|---|
| XLogP3 | 2.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 144.115029749 |
| Monoisotopic Mass | 144.115029749 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 10 |
| Boiling Point | 160.00 to 163.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 153-155 °CC |
| Density | 0.865 - 0.875 |
| Refractive Index | 1.402 - 1.409 |
Ethyl 4-methylvalerate; Ethyl 4-methylpentanoate; Ethyl isocaproate; Pentanoic acid, 4-methyl-, ethyl ester; 4-Methylvaleric Acid Ethyl Ester; Valeric acid, 4-methyl-, ethyl ester; UNII-DZX6U00Q87; Ethyl iso-hexanoate; DZX6U00Q87; EINECS 246-955-9; AI3-33648; DTXSID6067094; FEMA NO. 4343; ETHYL 4-METHYLPENTANOATE [FHFI]; RefChem:138781; Ethyl 4-methylpentanoic acid
| Regulatory & Food Contact | FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent No safety concern at current levels of intake when used as a flavouring agent TRS 1050-JECFA 96/31 FAS 87-JECFA 96/185 |
|---|
| Reported hazard statements | H226 (100%) |
|---|
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
ethyl isocaproate · CAS 25415-67-2 · C8H16O2. UNII DZX6U00Q87. Boiling Point: 160.00 to 163.00 °C. @ 760.00 mm Hg; Boiling Point: 153-155 °CC; Density: 0.865 - 0.875.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: ethyl isocaproate