苯乙酸异丙酯（CAS 4861-85-2）：分子式 C11H14O2、分子量 178.23。
| CAS号 | 4861-85-2 |
|---|---|
| 分子式 | C11H14O2 |
| 分子量 | 178.23 |
| 沸点 | 486 to 489 °F at 760 mmHg (NTP, 1992) |
| LogP | 2.6 |
| 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、General Manufacturing Information: Benzeneacetic acid、1-methylethyl 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: Benzeneacetic acid、1-methylethyl ester: ACTIVE。
苯乙酸异丙酯 是一种化工化合物，登记 CAS 号为 4861-85-2，分子式 C11H14O2（分子量 178.23）。
登记 CAS 号：4861-85-2
其分子式 C11H14O2 由 11 个碳、14 个氢、2 个氧 组成。
别名/同义词：苯乙酸异丙酯 · Isopropyl Phenylacetate
苯乙酸异丙酯 的 CAS 登记号为 4861-85-2。
分子式 C11H14O2，分子量 178.23。
别名/同义词：苯乙酸异丙酯、Isopropyl Phenylacetate。
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: Benzeneacetic acid、1-methylethyl ester: ACTIVE。
苯乙酸异丙酯（CAS 4861-85-2）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 4861-85-2 |
|---|---|
| PubChem CID | 62553 |
| Molecular formula | C11H14O2 |
| IUPAC name | propan-2-yl 2-phenylacetate |
| UNII (FDA) | A8L7NAJ0YO |
| FEMA number | 2956 |
| JECFA number | 1011 |
| Molecular Weight | 178.23 |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 178.099379685 |
| Monoisotopic Mass | 178.099379685 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 13 |
| Boiling Point | 486 to 489 °F at 760 mmHg (NTP, 1992) |
|---|---|
| Boiling Point | 157.00 to 165.00 °C. @ 12.00 mm Hg |
| Boiling Point | 238-253 °C |
| Flash Point | 203 °F (NTP, 1992) |
| Density | 1.006-1.012 (20 °C) |
| Refractive Index | 1.483-1.491 |
Isopropyl phenylacetate; propan-2-yl 2-phenylacetate; Benzeneacetic acid, 1-methylethyl ester; Benzeneacetic acid 1-methylethyl ester; 1-Methylethyl benzeneacetate; FEMA No. 2956; Acetic acid, phenyl-, isopropyl ester; DTXSID1025483; UNII-A8L7NAJ0YO; A8L7NAJ0YO; EINECS 225-468-5; Phenylacetic acid, isopropyl ester; ISOPROPYL BENZENEACETATE; DTXCID905483; ISOPROPYL PHENYLACETATE [FHFI]; RefChem:149834
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: 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 |
|---|
Isopropyl Phenylacetate · CAS 4861-85-2 · C11H14O2. UNII A8L7NAJ0YO. Boiling Point: 486 to 489 °F at 760 mmHg (NTP, 1992); Boiling Point: 157.00 to 165.00 °C. @ 12.00 mm Hg; Boiling Point: 238-253 °C.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: Isopropyl Phenylacetate