2-Acetylpyridine CAS 1122-62-9

Introduction：Basic information about 2-Acetylpyridine CAS 1122-62-9, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

2-Acetylpyridine Basic information

• Product Name: 2-Acetylpyridine
• Synonyms: 1-(2-pyridinyl)-ethanon;1-(2-Pyridinyl)ethanone;2-ACETYL PYRIDINE FEMA NO.3251;2-ACETYLPYRIDINE 99+%;2-ACETYLPYRIDINE, STANDARD FOR GC;Ethanone, 1-(2-pyridinyl)- (9CI);acetylpyridine,2-acetylpyridine;Ethanone, 1-(2-pyridinyl)-
• CAS: 1122-62-9
• MF: C7H7NO
• MW: 121.14
• EINECS: 214-355-6
• Product Categories: Heterocycle-Pyridine series;ketone;pyridine Flavor;Pyridines derivates;ACETYLGROUP;Carbonyl Compounds;Heterocycles;bc0001
• Mol File: 1122-62-9.mol

2-Acetylpyridine Chemical Properties

• Melting point: 8-10 °C
• Boiling point: 188-189 °C (lit.)
• density: 1.08 g/mL at 25 °C (lit.)
• FEMA: 3251 | 2-ACETYLPYRIDINE
• refractive index: n20/D 1.521(lit.)
• Fp: 164 °F
• storage temp.: Keep in dark place,Inert atmosphere,Room temperature
• solubility: 170g/l
• pka: pK1: 2.643(+1) (25°C)
• form: Liquid
• color: Clear colorless to slightly brown
• Odor: roasted odor
• PH: 7 (100g/l, H2O, 20℃)
• Odor Type: popcorn
• biological source: synthetic
• Water Solubility: Soluble in water (18.2 g/100g @ 25C). Soluble in and acetate. Slightly soluble in carbon tetrachloride.
• JECFA Number: 1309
• BRN: 107759
• InChI: 1S/C7H7NO/c1-6(9)7-4-2-3-5-8-7/h2-5H,1H3
• InChIKey: AJKVQEKCUACUMD-UHFFFAOYSA-N
• SMILES: CC(=O)c1ccccn1
• LogP: 0.85
• CAS DataBase Reference: 1122-62-9(CAS DataBase Reference)
• NIST Chemistry Reference: Ethanone, 1-(2-pyridinyl)-(1122-62-9)
• EPA Substance Registry System: 2-Acetylpyridine (1122-62-9)

Safety Information

• Hazard Codes: Xi
• Risk Statements: 36/37/38-38
• Safety Statements: 26-36-37
• RIDADR: NA 1993 / PGIII
• WGK Germany: 3
• RTECS: OB5310000
• F: 8
• Hazard Note: Irritant
• TSCA: TSCA listed
• HS Code: 29333999
• Storage Class: 10 - Combustible liquids
• Hazard Classifications: Skin Irrit. 2

2-Acetylpyridine Usage And Synthesis

Identification

CAS.No.: 1122-62-9 FL.No.: 14.038FEMA.No.: 3251NAS.No.: 3251CoE.No.: 2315EINECS.No.: 214-355-6 JECFA.No.: 1309　　

Description

A colorless liquid with tobacco-like aroma.

Regulatory Status

CoE: Used provisionally. Food: 10 ppm
FDA: n/a
FDA (other): n/a
JECFA: ADI: Acceptable. No safety concern at current levels of intake when used as a flavoring agent (2004).

Usage

Reported uses (ppm): (FEMA, 1994)Food Category Usual Max  Baked goods 55Breakfast cereals 33Cheese 33Gravies 33Meat products 33Milk products 33Other grains 33Soft candy 33Soups 33

Natural occurrence

Reported found in wheaten bread, other types of breads, boiled and cooked beef, grilled and roasted beef, lamb (roasted), lamb and mutton liver, beer, several types of brandy, cocoa, black tea, roasted filbert (Corylus avellano), roasted peanut (Arachis hypogea), heated beans, Bantu beer, coriander seed (Coriandrum sativum L.) and other natural sources.

Production

It is obtained by bromination of ethylpyrazine, followed by oxidization to obtain it.

Description

2-Acetylpyridine: a widely used food additive
2-Acetylpyridine, also named 1-(2-pyridinyl)ethanone or methyl 2-pyridyl ketone, is a "popcorn"-like compound and often used as the food additive and flavouring substance in tobacco, ice cream, milk, cooked rice and other food products. Generally, 2-acetylpyridine exists in a colorless to yellowish liquid and can be naturally found in rice, hazelnuts, Yahonkaoluo leaves and cocoa. Studies have also suggested that it can be used as an intermediate to synthesize a series of chemical compounds with antiviral activity. For example, Abid et al. prepared the various oxime ether derivatives of 2-acetylpyridine and evaluated their antiamoebic activities against the HM1:IMSS strain of E. histolytica[1].

Chemical Properties

clear colorless to slightly brown liquid

Chemical Properties

A colorless liquid with tobacco-like aroma

Occurrence

Reported found in wheaten bread, other types of breads, boiled and cooked beef, grilled and roasted beef, lamb(roasted), lamb and mutton liver, beer, several types of brandy, cocoa, black tea, roasted filbert (Corylus avellano), roasted peanut(Arachis hypogea), heated beans, Bantu beer, coriander seed (Coriandrum sativum L.) and other natural sources.

Uses

2-Acetylpyridine used as flavoring agent. It is also used in application for food additive.

Uses

2-Acetylpyridine is an aroma and flavour compound present in foods.

Definition

ChEBI: 2-Acetylpyridine is an aromatic ketone.

Preparation

From ethyl picolinate

Aroma threshold values

Detection: 19 ppb

Taste threshold values

Taste characteristics at 10 ppm: cornmeal with nutty, bready nuance

General Description

2-Acetylpyridine is a volatile flavor compound found in rye bread crust and roasted sesame. It has also been identified as a key contributor to the “scented rice”-like aroma in Yahonkaoluo leaves and Xiangjing-8618 rice.

References

[1] Cuiping Zhai, Xuejun Liu, Fenghua Cui . “A combined experimental and theoretical study on vibrational spectra of 2-acetylpyridine.” Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 134 (2015): Pages 90-95
[2] Camila V. Garcia . “Cobalt(III) complexes with 2-acetylpyridine-derived Schiff bases: Studies investigating ligand release upon reduction.” Polyhedron 124 (2017): Pages 86-95.

2-Acetylpyridine Preparation Products And Raw materials

• Raw materials: Ethylpyrazine
• Preparation Products: 1,3-DI(2-PYRIDYL)-1,3-PROPANEDIONE-->Pyridine, 2-Methyl-6-(1H-pyrazol-3-yl)--->2,2':6',2''-TERPYRIDINE-4'-CARBALDEHYDE-->7-methoxy-4-methylquinoline-->2-PYRIDIN-2-YL-1H-INDOLE-->3,5-DI(2-PYRIDYL)PYRAZOLE-->1-PYRIDIN-2-YL-ETHYLAMINE-->4-(3,5-Ditert-butylphenyl)-2,6-dipyridin-2-ylpyridine-->4'-(4-AMINOPHENYL)-2,2':6',2''-TERPYRIDINE-->4',4''''-(1,4-PHENYLENE)BIS(2,2':6',2''-TERPYRIDINE)-->α-Methyl-2-piperidineMethanol-->2-Ethylpyridine-->2-(1H-PYRAZOL-3-YL)PYRIDINE