methyl pent-4-enoate（CAS 818-57-5）：分子式 C6H10O2、分子量 114.14；类别 有机化学品。
| CAS号 | 818-57-5 |
|---|---|
| 分子式 | C6H10O2 |
| 分子量 | 114.14 |
| 沸点 | 125.00 to 127.00 °C. @ 760.00 mm Hg |
| LogP | 1.2 |
| 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 |
| 类别 | Organic Chemicals |
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。
methyl pent-4-enoate 是一种以碳骨架为基础的有机化合物，登记 CAS 号为 818-57-5，分子式 C6H10O2（分子量 114.14），归属于有机化学品大类化工原料。
登记 CAS 号：818-57-5
其分子式 C6H10O2 由 6 个碳、10 个氢、2 个氧 组成。
别名/同义词：methyl pent-4-enoate
所属分类：有机化学品
methyl pent-4-enoate 的 CAS 登记号为 818-57-5。
分子式 C6H10O2，分子量 114.14。
别名/同义词：methyl pent-4-enoate。
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。
所属分类：Organic Chemicals。
methyl pent-4-enoate（CAS 818-57-5）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 818-57-5 |
|---|---|
| PubChem CID | 543664 |
| Molecular formula | C6H10O2 |
| IUPAC name | methyl pent-4-enoate |
| UNII (FDA) | G48IPZ8O71 |
| FEMA number | 4353 |
| JECFA number | 1616 |
| Molecular Weight | 114.14 |
|---|---|
| XLogP3 | 1.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 114.068079557 |
| Monoisotopic Mass | 114.068079557 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 8 |
| Boiling Point | 125.00 to 127.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 125-127 °C |
| Density | 0.882-0.890 |
| Refractive Index | 1.412-1.418 |
methyl pent-4-enoate; Methyl 4-pentenoate; 818-57-5; Methyl allylacetate; 4-Pentenoic acid, methyl ester; Allylacetic acid methyl ester; Methyl 4-pentenoate [FHFI]; FEMA No. 4353; UNII-G48IPZ8O71; G48IPZ8O71; DTXSID60231373; RefChem:157648; DTXCID60153864; 627-166-2; InChI=1/C6H10O2/c1-3-4-5-6(7)8-2/h3H,1,4-5H2,2H; SHCSFZHSNSGTOP-UHFFFAOYSA-N
| Regulatory & Food Contact | FDA Substance added to food: FLAVORING AGENT OR ADJUVANT FLAVOURING_AGENT: Flavouring Agent Flavoring Agents Green No safety concern at current levels of intake when used as a flavouring agent TRS 947-JECFA68/ |
|---|
| Reported hazard statements | H226 (97.6%), H319 (97.6%) |
|---|
H226 (97.6%): Flammable liquid and vapor [Warning Flammable liquids]
H319 (97.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
methyl pent-4-enoate · CAS 818-57-5 · C6H10O2. UNII G48IPZ8O71. Boiling Point: 125.00 to 127.00 °C. @ 760.00 mm Hg; Boiling Point: 125-127 °C; Density: 0.882-0.890.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: methyl pent-4-enoate