2-Acetylpyridine
Grundinformationen
- CAS
1122-62-9- Standard-SMILES
CC(=O)c1ccccn1- InChIKey
AJKVQEKCUACUMD-UHFFFAOYSA-N- Summenformel
- C7H7NO
- Durchschnittliche Molmasse
- 121,14 g/mol
- Monoisotopische Masse
- 121,05276385
Überblick
2-Acetylpyridine is an aromatic ketone.
Namen und Bezeichner
- Bevorzugter Name
- 2-Acetylpyridine
- IUPAC
- 1-pyridin-2-ylethanone
- Englischer Name
- Methylpyridylketone
- Summenformel
- C7H7NO
- Molmasse
- 0
Namen und Synonyme
2-ACETYLPYRIDINE1122-62-91-pyridin-2-ylethanoneMethyl 2-pyridyl ketone1-(Pyridin-2-Yl)Ethan-1-OneKetone, methyl 2-pyridyl2-AcetopyridineEthanone, 1-(2-pyridinyl)-FEMA No. 3251629O10UI3LNSC-15043RefChem:85007
Weitere Namen anzeigen
214-355-61-(pyridin-2-yl)ethanoneAcetylpyridine1-(2-Pyridinyl)ethanone2-Pyridyl methyl ketone1-Pyridin-2-yl-ethanoneMFCD00006303Acetyl pyridine
Datenbank-Bezeichner
- CAS
1122-62-9、30440-88-1- PubChem CID
- 14286
- DTXSID
DTXSID7024409- ChEMBL
CHEMBL11945- ChEBI
CHEBI:193619- UNII
- 629O10UI3L
- EC Number
- 214-355-6
- Nikkaji
- J71.242F
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,9
- Polarare Oberfläche (TPSA)
- 30 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 111
Experimentelle und physikochemische Eigenschaften
Chemical ClassesNitrogen Compounds -> Pyridines
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
FragrancesFragrance Ingredient (2-Acetylpyridine) -> IFRA transparency List
LogP
0.85
0.83
Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.077-1.084
Flavoring AgentsEU Flavoring substances
Solubility
Soluble in ether and acids
Soluble (in ethanol)
Boiling Point
189.00 to 193.00 °C. @ 760.00 mm Hg
189-193 °C
Vapor Pressure0.37 [mmHg]
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 73.1% (320 of 438) of all reports.
Warning
H315 (26.9%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 438 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Ethanone, 1-(2-pyridinyl)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Methyl 2-pyridyl ketone: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummarySafe when used as a flavoring agent in food; [JECFA] A skin and strong eye irritant; [Alfa Aesar MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (26.9%)
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsCytoplasm
Verwendung und Herstellung
UsesUsed as a flavoring agent; [FDA]
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing InformationEthanone, 1-(2-pyridinyl)-: ACTIVE
Zugehörige Reaktionen
159
Notizen zur Verbindung
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