Grundinformationen
- Standard-SMILES
CC(=O)c1ccccn1- InChIKey
AJKVQEKCUACUMD-UHFFFAOYSA-N- Summenformel
- C7H7NO
- Durchschnittliche Molmasse
- 121,14 g/mol
- Monoisotopische Masse
- 121,05276385
Namen und Bezeichner
- Bevorzugter Name
- 2-Acetylpyridine
- IUPAC
- 1-pyridin-2-ylethanone
- Englischer Name
- Methylpyridylketone
- Summenformel
- C7H7NO
- Molmasse
- 0
Namen und Synonyme
Weitere Namen anzeigen
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
Solubility
Soluble in ether and acids
Soluble (in ethanol)
Boiling Point
189.00 to 193.00 °C. @ 760.00 mm Hg
189-193 °C
Physical Description
Colorless liquid with an unpleasant odor; [Alfa Aesar MSDS]
Colourless to yellow liquid; Tobacco-like, popcorn, heavy-oily-fatty aroma
Kovats Retention Index
1001;1026;1026;999;998;1014;1018;1008.9;1005;1014;991;993;998;998;1010;1011
1057;1050;1030;1034;1032;1045;1031;1034.8;1046;1036
1602;1608;1608;1590;1586;1603;1603;1597;1618;1608;1587;1552;1599;1618;1600;1615;1597;1599;1600;1591.3
Physikochemische Eigenschaften
- Siedepunkt
- 225.84 °C · 225.84°C (rough estimate)
- Dichte
- 1.1344 · 1.1344 (rough estimate)
- Brechungsindex
- 1.5323 · 1.5323 (estimate)
Sicherheit und Regulatorisches
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];H319 (26.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (23.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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.;Reported as not meeting GHS hazard criteria per 320 of 438 reports by companies.;There are 9 notifications provided by 118 of 438 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
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
Regulatorische Informationen
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
Chemie und Industrie
Pharmakologische Informationen
Verwendung und Herstellung
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Anbieter50 Anbieter
Zugehörige Reaktionen
Verknüpfte Notizen
Wird geladen…