2-Acetyl-1-pyrroline (CAS 85213-22-5) — formula C6H9NO, molecular weight 111.07 g/mol.
| CAS Number | 85213-22-5 |
|---|---|
| Molecular Formula | C6H9NO |
| Molecular Weight | 111.07 g/mol |
| Melting Point | 19.00 °C. @ 760.00 mm Hg |
| Boiling Point | 182.00 to 183.00 °C. @ 760.00 mm Hg |
| LogP | -0.4 |
| Applications | Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index |
Documented applications: Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index.
2-Acetyl-1-pyrroline is a chemical compound with CAS registry number 85213-22-5 and molecular formula C6H9NO (molecular weight 111.07 g/mol).
CAS number: 85213-22-5
Its molecular formula C6H9NO comprises 6 C, 9 H, 1 N, 1 O atoms.
Also known as: 2-Acetyl-1-pyrroline · 2-乙酰基-1-吡咯啉
The CAS registry number of 2-Acetyl-1-pyrroline is 85213-22-5.
Molecular formula C6H9NO, molecular weight 111.07 g/mol.
It is also registered under: 2-Acetyl-1-pyrroline, 2-乙酰基-1-吡咯啉.
Recorded applications: Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index.
Independent reference data for 2-Acetyl-1-pyrroline (CAS 85213-22-5), compiled from public chemistry databases.
| 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.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 2-乙酰基-1-吡咯啉