千里光苯乙酯（CAS 42078-65-9）：分子式 C13H16O2、分子量 204.26。
| CAS号 | 42078-65-9 |
|---|---|
| 分子式 | C13H16O2 |
| 分子量 | 204.26 |
| 沸点 | 285.00 to 287.00 °C. @ 760.00 mm Hg |
| LogP | 3.7 |
| 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、General Manufacturing Information: 2-Butenoic acid、3-methyl-、2-phenylethyl ester: ACTIVE |
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、General Manufacturing Information: 2-Butenoic acid、3-methyl-、2-phenylethyl ester: ACTIVE。
千里光苯乙酯 是一种化工化合物，登记 CAS 号为 42078-65-9，分子式 C13H16O2（分子量 204.26）。
登记 CAS 号：42078-65-9
其分子式 C13H16O2 由 13 个碳、16 个氢、2 个氧 组成。
别名/同义词：千里光苯乙酯 · Phenethyl senecioate · phenethyl 3-methylbut-2-enoate
千里光苯乙酯 的 CAS 登记号为 42078-65-9。
分子式 C13H16O2，分子量 204.26。
别名/同义词：千里光苯乙酯、Phenethyl senecioate、phenethyl 3-methylbut-2-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、General Manufacturing Information: 2-Butenoic acid、3-methyl-、2-phenylethyl ester: ACTIVE。
千里光苯乙酯（CAS 42078-65-9）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 42078-65-9 |
|---|---|
| PubChem CID | 61997 |
| Molecular formula | C13H16O2 |
| IUPAC name | 2-phenylethyl 3-methylbut-2-enoate |
| UNII (FDA) | RB4P98KP6R |
| FEMA number | 2869 |
| JECFA number | 998 |
| Molecular Weight | 204.26 |
|---|---|
| XLogP3 | 3.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 204.115029749 |
| Monoisotopic Mass | 204.115029749 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 15 |
| Boiling Point | 285.00 to 287.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 285 °C |
| Density | 1.011-1.019 |
| Refractive Index | 1.514-1.520 |
Phenethyl senecioate; 2-phenylethyl 3-methylbut-2-enoate; 2-Butenoic acid, 3-methyl-, 2-phenylethyl ester; 42078-65-9; 2-Phenylethyl 3-methyl-2-butenoate; Phenethyl 3-methylbut-2-enoate; Phenethyl 3-methylcrotonate; 2-Phenylethyl senecioate; Phenethyl 3,3-dimethylacrylate; FEMA No. 2869; Phenylethyl beta,beta-dimethylacrylate; EINECS 255-649-4; RB4P98KP6R; 2-Butenoic acid, 3-methyl-, 2-phenethyl ester; DTXSID5068366; PHENETHYL SENECIOATE [FHFI]
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Floral No safety concern at current levels of intake when used as a flavouring agent |
|---|
phenethyl 3-methylbut-2-enoate · CAS 42078-65-9 · C13H16O2. UNII RB4P98KP6R. Boiling Point: 285.00 to 287.00 °C. @ 760.00 mm Hg; Boiling Point: 285 °C; Density: 1.011-1.019.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: Phenethyl senecioate