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Basic information

  • Name:
  • 2-Acetylpyridine

  • CAS No.:
  • 1122-62-9

  • Formula:
  • C7H7NO
  • Synonyms:
  • FEMA 3251;2-Acetopyridine;1-(2-Pyridinyl)ethanone;Ethanone, 1-(2-pyridinyl)-;1-pyridin-2-ylethanone;Methyl 2-pyridyl ketone;Ketone, methyl 2-pyridyl;2-Acetylpyridine (natural);2-Pyridyl methyl ketone;2-Acetyl pyridine;Acetyl Pyridine;
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Chemistry

Molecular Structure of 2-Acetylpyridine (CAS NO.1122-62-9):

IUPAC Name: 1-Pyridin-2-ylethanone 
Molecular Formula: C7H7NO
Molecular Weight: 121.13
EINECS: 214-355-6
FEMA: 3251
XLogP3: 0.9
H-Bond Donor: 0
H-Bond Acceptor: 2
Melting Point: 8-10 °C 
Index of Refraction: 1.513
Molar Refractivity: 34.37 cm3
Molar Volume: 114.1 cm3
Surface Tension: 39.6 dyne/cm
Density: 1.06 g/cm3
Flash Point: 73.3 °C
Enthalpy of Vaporization: 42.9 kJ/mol
Boiling Point: 192.8 °C at 760 mmHg
Vapour Pressure: 0.481 mmHg at 25 °C
Appearance: clear colorless to slightly brown liquid
Classification Code: Mutation data; Tumor data 
Canonical SMILES: CC(=O)C1=CC=CC=N1
InChI: InChI=1S/C7H7NO/c1-6(9)7-4-2-3-5-8-7/h2-5H,1H3
InChIKey: AJKVQEKCUACUMD-UHFFFAOYSA-N
Product Categories: ACETYLGROUP; Carbonyl Compounds; Heterocycles; Pyridines derivates; pyridine Flavor

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
bird - wild LD50 oral 1gm/kg (1000mg/kg)   Archives of Environmental Contamination and Toxicology. Vol. 12, Pg. 355, 1983.
rat LD50 oral 2280mg/kg (2280mg/kg)   Food and Cosmetics Toxicology. Vol. 13, Pg. 487, 1975.

Safety Profile

Moderately toxic by ingestion. Mutation data reported. A flammable liquid. When heated to decomposition it emits toxic vapors of NOx.
Safety Information of 2-Acetylpyridine (CAS NO.1122-62-9):
Hazard Codes: IrritantXi
Risk Statements: 36/37/38-38 
R36/37/38:Irritating to eyes, respiratory system and skin. 
R38:Irritating to skin.
Safety Statements: 26-36-37 
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.
WGK Germany: 3
RTECS: OB5310000
F: 8
Hazard Note: Irritant

Standards and Recommendations

DOT Classification:  3; Label: Flammable Liquid

Specification

 2-Acetylpyridine (CAS NO.1122-62-9), its Synonyms are 1-(2-Pyridinyl)ethanone ; 2-Acetylpyridine (natural) ; 2-Pyridyl methyl ketone ; Ketone, methyl 2-pyridyl ; Methyl 2-pyridyl ketone ; Ethanone, 1-(2-pyridinyl)- .

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