2-乙酰基-1-吡咯啉（CAS 85213-22-5）：分子式 C6H9NO、分子量 111.14。
| CAS号 | 85213-22-5 |
|---|---|
| 分子式 | C6H9NO |
| 分子量 | 111.14 |
| 熔点 | 19.00 °C. @ 760.00 mm Hg |
| 沸点 | 182.00 to 183.00 °C. @ 760.00 mm Hg |
| LogP | -0.4 |
| 应用领域 | Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index |
登记用途：Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index。
2-乙酰基-1-吡咯啉 是一种化工化合物，登记 CAS 号为 85213-22-5，分子式 C6H9NO（分子量 111.14）。
登记 CAS 号：85213-22-5
其分子式 C6H9NO 由 6 个碳、9 个氢、1 个氮、1 个氧 组成。
别名/同义词：2-乙酰基-1-吡咯啉 · 2-Acetyl-1-pyrroline
2-乙酰基-1-吡咯啉 的 CAS 登记号为 85213-22-5。
分子式 C6H9NO，分子量 111.14。
别名/同义词：2-乙酰基-1-吡咯啉、2-Acetyl-1-pyrroline。
登记用途：Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index。
2-乙酰基-1-吡咯啉（CAS 85213-22-5）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 85213-22-5 |
|---|---|
| PubChem CID | 522834 |
| Molecular formula | C6H9NO |
| Molecular weight | 111.07 g/mol |
| IUPAC name | 1-(3,4-dihydro-2H-pyrrol-5-yl)ethanone |
| InChIKey | DQBQWWSFRPLIAX-UHFFFAOYSA-N |
| UNII (FDA) | IGC0W6LY94 |
| ChEBI ID | CHEBI:67125 |
| JECFA number | 1604 |
| Molecular Weight | 111.14 |
|---|---|
| XLogP3 | -0.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 111.068413911 |
| Monoisotopic Mass | 111.068413911 |
| Topological Polar Surface Area | 29.4 |
| Heavy Atom Count | 8 |
| Boiling Point | 182.00 to 183.00 °C. @ 760.00 mm Hg |
|---|---|
| Melting Point | 19.00 °C. @ 760.00 mm Hg |
2-Acetyl-1-pyrroline; 85213-22-5; 1-(3,4-Dihydro-2H-pyrrol-5-yl)ethanone; CHEBI:67125; DTXSID40335080; RefChem:84964; DTXCID40286169; FEMA NO. 4249; IGC0W6LY94; ETHANONE, 1-(3,4-DIHYDRO-2H-PYRROL-5-YL)-; 1-(3,4-dihydro-2H-pyrrol-5-yl)ethan-1-one; 2-acetyl-4,5-dihydro-3H-pyrrole; 1-Pyrroline, 2-acetyl; 2-Acetyl-1-pyrroline-13C2 85% (10% w/w in DCM); 5-Acetyl-3,4-dihydro-2H-pyrrole; 2-Acetyl-1-pyrroline, ~10% w/w in Toluene
| Regulatory & Food Contact | FLAVOURING_AGENT: Flavouring Agent Flavoring Agents No safety concern at current levels of intake when used as a flavouring agent ">TRS 952-JECFA 69/155 ">FAS 60-JECFA 69/629 |
|---|
2-Acetyl-1-pyrroline is identified by CAS 85213-22-5, molecular formula C6H9NO and molecular weight 111.07 g/mol. UNII IGC0W6LY94; ChEBI 67125; InChIKey DQBQWWSFRPLIAX-UHFFFAOYSA-N. Boiling Point: 182.00 to 183.00 °C. @ 760.00 mm Hg; Melting Point: 19.00 °C. @ 760.00 mm Hg.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: 2-Acetyl-1-pyrroline