异戊酸苯乙酯（CAS 140-26-1）：分子式 C13H18O2、分子量 206.28。
| CAS号 | 140-26-1 |
|---|---|
| 分子式 | C13H18O2 |
| 分子量 | 206.28 |
| 沸点 | 263.00 to 264.00 °C. @ 760.00 mm Hg |
| LogP | 3.6 |
| 应用领域 | Use Classification: Fragrance Ingredients、Flavoring Agents -> JECFA Flavorings Index、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、General Manufacturing Information: Butanoic acid、3-methyl-、2-phenylethyl ester: ACTIVE |
登记用途：Use Classification: Fragrance Ingredients、Flavoring Agents -> JECFA Flavorings Index、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、General Manufacturing Information: Butanoic acid、3-methyl-、2-phenylethyl ester: ACTIVE。
异戊酸苯乙酯 是一种化工化合物，登记 CAS 号为 140-26-1，分子式 C13H18O2（分子量 206.28）。
登记 CAS 号：140-26-1
其分子式 C13H18O2 由 13 个碳、18 个氢、2 个氧 组成。
别名/同义词：异戊酸苯乙酯 · Phenethyl isovalerate
异戊酸苯乙酯 的 CAS 登记号为 140-26-1。
分子式 C13H18O2，分子量 206.28。
别名/同义词：异戊酸苯乙酯、Phenethyl isovalerate。
登记用途：Use Classification: Fragrance Ingredients、Flavoring Agents -> JECFA Flavorings Index、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、General Manufacturing Information: Butanoic acid、3-methyl-、2-phenylethyl ester: ACTIVE。
异戊酸苯乙酯（CAS 140-26-1）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 140-26-1 |
|---|---|
| PubChem CID | 8792 |
| Molecular formula | C13H18O2 |
| Molecular weight | 206.13 g/mol |
| IUPAC name | 2-phenylethyl 3-methylbutanoate |
| InChIKey | JIMGVOCOYZFDKB-UHFFFAOYSA-N |
| UNII (FDA) | K86JE60K0L |
| FEMA number | 2871 |
| JECFA number | 994 |
| Molecular Weight | 206.28 |
|---|---|
| XLogP3 | 3.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 6 |
| Exact Mass | 206.130679813 |
| Monoisotopic Mass | 206.130679813 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 15 |
| Boiling Point | 263.00 to 264.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 263 °C |
| Density | 0.973-0.976 |
| Refractive Index | 1.482-1.487 |
140-26-1; Phenethyl isovalerate; Phenylethyl isovalerate; Butanoic acid, 3-methyl-, 2-phenylethyl ester; ISOVALERIC ACID, PHENETHYL ESTER; Phenylethyl 3-methylbutyrate; FEMA No. 2871; K86JE60K0L; NSC-21899; DTXSID2059693; RefChem:172673; DTXCID3034539; 205-406-3; 2-Phenylethyl 3-methylbutanoate; 2-Phenylethyl isovalerate; phenethyl 3-methylbutanoate
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Floral, Mint No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 74.1% (326 / 440) |
| GHS notification summary | 74.1% (326 / 440) |
|---|---|
| Reported hazard statements | H411 (25.9%) |
This chemical does not meet GHS hazard criteria for 74.1% (326 of 440) of all reports.
H411 (25.9%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Phenethyl isovalerate is identified by CAS 140-26-1, molecular formula C13H18O2 and molecular weight 206.13 g/mol. UNII K86JE60K0L; InChIKey JIMGVOCOYZFDKB-UHFFFAOYSA-N. Boiling Point: 263.00 to 264.00 °C. @ 760.00 mm Hg; Boiling Point: 263 °C; Density: 0.973-0.976.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: Phenethyl isovalerate