3-苯丙酸乙酯（CAS 2021-28-5）：分子式 C11H14O2、分子量 178.23。
| CAS号 | 2021-28-5 |
|---|---|
| 分子式 | C11H14O2 |
| 分子量 | 178.23 |
| 沸点 | 477 °F at 760 mmHg (NTP, 1992) |
| LogP | 2.73 |
3-苯丙酸乙酯 是一种化工化合物，登记 CAS 号为 2021-28-5，分子式 C11H14O2（分子量 178.23）。
登记 CAS 号：2021-28-5
其分子式 C11H14O2 由 11 个碳、14 个氢、2 个氧 组成。
别名/同义词：3-苯丙酸乙酯 · ethyl 3-phenylpropionate
3-苯丙酸乙酯 的 CAS 登记号为 2021-28-5。
分子式 C11H14O2，分子量 178.23。
别名/同义词：3-苯丙酸乙酯、ethyl 3-phenylpropionate。
3-苯丙酸乙酯（CAS 2021-28-5）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 2021-28-5 |
|---|---|
| PubChem CID | 16237 |
| Molecular formula | C11H14O2 |
| Molecular weight | 178.10 g/mol |
| IUPAC name | ethyl 3-phenylpropanoate |
| InChIKey | JAGZUIGGHGTFHO-UHFFFAOYSA-N |
| UNII (FDA) | 58E9Z9V64D |
| ChEBI ID | CHEBI:173833 |
| FEMA number | 2455 |
| JECFA number | 644 |
| Molecular Weight | 178.23 |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 178.099379685 |
| Monoisotopic Mass | 178.099379685 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 13 |
| Boiling Point | 477 °F at 760 mmHg (NTP, 1992) |
|---|---|
| Boiling Point | 247.00 to 249.00 °C. @ 760.00 mm Hg |
| Boiling Point | 247-249 °C |
| Solubility | 0.22 mg/mL at 25 °C |
| Density | 1.009-1.017 |
| LogP | 2.73 |
| Refractive Index | 1.492-1.497 |
Ethyl 3-phenylpropionate; Ethyl 3-phenylpropanoate; 2021-28-5; Ethyl hydrocinnamate; Benzenepropanoic acid, ethyl ester; 3-Phenylpropionic Acid Ethyl Ester; Hydrocinnamic acid, ethyl ester; ETHYL BENZENEPROPANOATE; Ethylhydrocinnamoate; Ethylphenyl propanoate; FEMA No. 2455; DTXSID9047095; 58E9Z9V64D; NSC-126040; UNII-58E9Z9V64D; EINECS 217-966-6
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Flower, Honey No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 98.6% (146 / 148) |
| GHS notification summary | 98.6% (146 / 148) |
|---|
This chemical does not meet GHS hazard criteria for 98.6% (146 of 148) of all reports.
Reported as not meeting GHS hazard criteria by 146 of 148 companies (only 1.4% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
ethyl 3-phenylpropionate is identified by CAS 2021-28-5, molecular formula C11H14O2 and molecular weight 178.10 g/mol. UNII 58E9Z9V64D; ChEBI 173833; InChIKey JAGZUIGGHGTFHO-UHFFFAOYSA-N. Boiling Point: 477 °F at 760 mmHg (NTP, 1992); Boiling Point: 247.00 to 249.00 °C. @ 760.00 mm Hg; Boiling Point: 247-249 °C.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: ethyl 3-phenylpropionate