ChemicalBook--->CAS DataBase List--->1122-62-9

1122-62-9

1122-62-9 Structure

1122-62-9 Structure
IdentificationMore
[Name]

2-Acetylpyridine
[CAS]

1122-62-9
[Synonyms]

1-PYRIDIN-2-YL-ETHANONE
2-ACETOPYRIDINE
2-ACETYLPYRIDINE
2-PYRIDYL METHYL KETONE
FEMA 3251
FEMA NUMBER 3251
METHYL 2-PYRIDYL KETONE
1-(2-pyridinyl)-ethanon
1-(2-Pyridinyl)ethanone
1-(2-pyridinyl)-Ethanone
2-AcetyIpyridine
Acetyl pyridine
Ketone, methyl 2-pyridyl
ketone,methyl2-pyridyl
Methyl (2-pyridyl) methanone
2-Acetylpyridiine
2-ACETYLPYRIDINE 99+%
2-ACETYLPYRIDINE, STANDARD FOR GC
Ethanone, 1-(2-pyridinyl)-(9CI)
acetylpyridine,2-acetylpyridine
[EINECS(EC#)]

214-355-6
[Molecular Formula]

C7H7NO
[MDL Number]

MFCD00006303
[Molecular Weight]

121.14
[MOL File]

1122-62-9.mol
Chemical PropertiesBack Directory
[Appearance]

clear colorless to slightly brown liquid
[Melting point ]

8-10 °C
[Boiling point ]

188-189 °C (lit.)
[density ]

1.08 g/mL at 25 °C(lit.)
[FEMA ]

3251
[refractive index ]

n20/D 1.521(lit.)
[Fp ]

164 °F
[storage temp. ]

Keep in dark place,Inert atmosphere,Room temperature
[solubility ]

170g/l
[form ]

Liquid
[pka]

pK1: 2.643(+1) (25°C)
[color ]

Clear colorless to slightly brown
[Odor]

roasted odor
[PH]

7 (100g/l, H2O, 20℃)
[biological source]

synthetic
[Odor Type]

popcorn
[Water Solubility ]

Soluble in water (18.2 g/100g @ 25C). Soluble in and acetate. Slightly soluble in carbon tetrachloride.
[Detection Methods]

GC,NMR
[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 DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H227-H319-H315
[Precautionary statements ]

P280g-P305+P351+P338-P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P370+P378-P403+P235-P501
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
R38:Irritating to the skin.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S37:Wear suitable gloves .
[RIDADR ]

NA 1993 / PGIII
[WGK Germany ]

3
[RTECS ]

OB5310000
[F ]

8
[Hazard Note ]

Irritant
[TSCA ]

Yes
[HS Code ]

29333999
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Skin Irrit. 2
Raw materials And Preparation ProductsBack Directory
[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
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2-Acetylpyridine(1122-62-9).msds
Questions And AnswerBack Directory
[Identification]

CAS.No.: 
1122-62-9 
FL.No.: 
14.038
FEMA.No.: 
3251
NAS.No.: 
3251
CoE.No.: 
2315
EINECS.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 
5
5
Breakfast cereals 
3
3
Cheese 
3
3
Gravies 
3
3
Meat products 
3
3
Milk products 
3
3
Other grains 
3
3
Soft candy 
3
3
Soups 
3
3
[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.
Hazard InformationBack Directory
[Chemical Properties]

A colorless liquid with tobacco-like aroma
[Chemical Properties]

clear colorless to slightly brown liquid
[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 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.
Spectrum DetailBack Directory
[Spectrum Detail]

2-Acetylpyridine(1122-62-9)MS
2-Acetylpyridine(1122-62-9)1HNMR
2-Acetylpyridine(1122-62-9)13CNMR
2-Acetylpyridine(1122-62-9)IR1
2-Acetylpyridine(1122-62-9)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2-Acetylpyridine, 98%(1122-62-9)
[Alfa Aesar]

2-Acetylpyridine, 98%(1122-62-9)
[Sigma Aldrich]

1122-62-9(sigmaaldrich)
[TCI AMERICA]

2-Acetylpyridine,>99.0%(GC)(1122-62-9)
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