39741-41-8

Basic information

• Product Name: 2-Acetyl-1-ethylpyrrole
• Synonyms: N-ETHYL-2-ACETYL PYRROLE;FEMA NUMBER 3147;FEMA 3147;2-ACETYL-1-ETHYLPYRROLE;2-ACETYL-N-ETHYLPYRROLE;1-ETHYL-2-ACETYLPYRROLE;Ethanone, 1-(1-ethyl-1H-pyrrol-2-yl)- (9CI);Ethanone, 1-(1-ethyl-1H-pyrrol-2-yl)-
• CAS NO: 39741-41-8
• Molecular Formula: C8H11NO
• Molecular Weight: 137.18
• Product Categories: ACETYLGROUP;Flavor
• Mol File: 39741-41-8.mol

Chemical Properties

• Boiling Point: 82 °C / 12mmHg
• Flash Point: 86.4 °C
• Appearance: /
• Density: 1.01
• Vapor Pressure: 0.121mmHg at 25°C
• Refractive Index: 1.5280-1.5340
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• PKA: -7.46±0.70(Predicted)
• CAS DataBase Reference: 2-Acetyl-1-ethylpyrrole(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Acetyl-1-ethylpyrrole(39741-41-8)
• EPA Substance Registry System: 2-Acetyl-1-ethylpyrrole(39741-41-8)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38-36
• Safety Statements: 26-37/39
• Hazardous Substances Data: 39741-41-8(Hazardous Substances Data)

Usage

Uses

Used in Flavor and Fragrance Industry:
2-Acetyl-1-ethylpyrrole is used as a flavoring agent for its warm, nutty, and ethereal aroma, enhancing the taste and smell of various food and beverage products.
Used in Perfumery:
2-Acetyl-1-ethylpyrrole is used as a fragrance ingredient to add depth and complexity to perfumes and colognes, thanks to its unique and pleasant scent.
Used in Aromatherapy:
Due to its calming and soothing properties, 2-Acetyl-1-ethylpyrrole can be used in aromatherapy as a component in essential oil blends to promote relaxation and well-being.
Used in the Coffee and Tea Industry:
2-Acetyl-1-ethylpyrrole is used as a natural flavor enhancer in the coffee and tea industry, providing a richer and more aromatic experience for consumers.

InChI:InChI=1/C8H11NO/c1-3-9-6-4-5-8(9)7(2)10/h4-6H,3H2,1-2H3

Upstream product

• 1072-83-9 2-Acetylpyrrole 
• 75-03-6 ethyl iodide 
• 105-58-8 Diethyl carbonate 

Downstream Products

• 23694-41-9 1-Ethyl-2-chloroacetylpyrrole 

Relevant articles and documents

A preparing method of 1-ethyl-2-acetylpyrrole

A preparing method of 1-ethyl-2-acetylpyrrole is disclosed. Pyrrole is adopted as an initial raw material and is subjected to two reaction steps to prepare the 1-ethyl-2-acetylpyrrole. Firstly, 2-acetylpyrrole is prepared from the pyrrole, N,N-dimethylacetamide, 1,2-dichloroethane and phosphorus oxychloride; and then the 1-ethyl-2-acetylpyrrole is prepared from KOH, water, trimethylstearylammoniumchloride, the 2-acetylpyrrole and diethyl carbonate. Beneficial effects of the method are that the method is safe and environment-friendly, a process is simple to operate and feasible, a finished product is high in content, raw materials are easily available, a production cost is low, and the method is suitable for large-scale production.

Alkylation of 2-acetylpyrrole and 1-alkyl-2-acetylpyrroles under solid/liquid phase-transfer conditions

The alkylation of 2-acetylpyrrole with alkyl iodides in the benzene/solid KOH system in the presence of 18-crown-6 at room temperature gives the corresponding 1-alkyl derivatives in high yields. The phase-transfer catalysed alkylation of 1-alkyl-2-acetylpyrroles without solvent leads to side-chain di-C-alkylated products, i.e. ketones of the (1-alkyl-2-pyrrolyl)COCHR2 type in satisfactory yields.