2-甲基巴豆酸1-乙基己酯（CAS 94133-92-3）：分子式 C13H24O2、分子量 212.33。
| CAS号 | 94133-92-3 |
|---|---|
| 分子式 | C13H24O2 |
| 分子量 | 212.33 |
| 沸点 | 94-96 °C (60 mm Hg) |
| LogP | 4.6 |
| 应用领域 | Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes |
登记用途：Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes。
2-甲基巴豆酸1-乙基己酯 是一种化工化合物，登记 CAS 号为 94133-92-3，分子式 C13H24O2（分子量 212.33）。
登记 CAS 号：94133-92-3
其分子式 C13H24O2 由 13 个碳、24 个氢、2 个氧 组成。
别名/同义词：2-甲基巴豆酸1-乙基己酯 · 1-ethylhexyl 2-methylcrotonate
2-甲基巴豆酸1-乙基己酯 的 CAS 登记号为 94133-92-3。
分子式 C13H24O2，分子量 212.33。
别名/同义词：2-甲基巴豆酸1-乙基己酯、1-ethylhexyl 2-methylcrotonate。
登记用途：Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes。
2-甲基巴豆酸1-乙基己酯（CAS 94133-92-3）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 94133-92-3 |
|---|---|
| PubChem CID | 6008212 |
| Molecular formula | C13H24O2 |
| IUPAC name | octan-3-yl (E)-2-methylbut-2-enoate |
| UNII (FDA) | 8V8567YK6H |
| FEMA number | 3676 |
| JECFA number | 448 |
| Molecular Weight | 212.33 |
|---|---|
| XLogP3 | 4.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 8 |
| Exact Mass | 212.177630004 |
| Monoisotopic Mass | 212.177630004 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 15 |
| Boiling Point | 94-96 °C (60 mm Hg) |
|---|---|
| Density | 0.879-0.885 |
| Refractive Index | 1.441-1.447 |
1-Ethylhexyl tiglate; 3-Octyl tiglate; 94133-92-3; 3-Octyl 2-methylcrotonate; FEMA No. 3676; 1-Ethylhexyl 2-methylcrotonate; 3-Octyl trans-2-methyl-2-butenoate; EINECS 302-757-5; 1-Ethylhexyl 2-methyl-2-butenoate, (E)-; 8V8567YK6H; 2-Butenoic acid, 2-methyl-, 1-ethylhexyl ester, (E)-; 1-ETHYLHEXYL TIGLATE [FHFI]; 2-Butenoic acid, 2-methyl-, 1-ethylhexyl ester, (2E)-; RefChem:432634; 1-Ethylhexyl (2E)-2-methyl-2-butenoate; 302-757-5
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Spice No safety concern at current levels of intake when used as a flavouring agent |
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1-ethylhexyl 2-methylcrotonate · CAS 94133-92-3 · C13H24O2. UNII 8V8567YK6H. Boiling Point: 94-96 °C (60 mm Hg); Density: 0.879-0.885; Refractive Index: 1.441-1.447.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: 1-ethylhexyl 2-methylcrotonate