1-(PYRIDIN-4-YL)OCTAN-1-ONE

Modify Date: 2025-08-25 16:25:45

1-(PYRIDIN-4-YL)OCTAN-1-ONE Structure
1-(PYRIDIN-4-YL)OCTAN-1-ONE structure
 Common Name 1-(PYRIDIN-4-YL)OCTAN-1-ONE
CAS Number 32921-22-5 Molecular Weight 205.29600
Density 0.962g/cm3 Boiling Point 313.6ºC at 760 mmHg
Molecular Formula C13H19NO Melting Point N/A
MSDS N/A Flash Point 151.5ºC

 Names

Name 1-pyridin-4-yloctan-1-one
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.962g/cm3
Boiling Point 313.6ºC at 760 mmHg
Molecular Formula C13H19NO
Molecular Weight 205.29600
Flash Point 151.5ºC
Exact Mass 205.14700
PSA 29.96000
LogP 3.62480
Index of Refraction 1.494
InChIKey NFJVDNUUKKYRHM-UHFFFAOYSA-N
SMILES CCCCCCCC(=O)c1ccncc1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
RH1538000
CHEMICAL NAME :
1-Octanone, 1-(4-pyridyl)-
CAS REGISTRY NUMBER :
32921-22-5
BEILSTEIN REFERENCE NO. :
1452216
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C13-H19-N-O
MOLECULAR WEIGHT :
205.33

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 14,551,1971

 Synonyms

Heptyl-<4>pyridyl-keton
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