1,2-Propanediol, 3-(8-quinolyloxy)-

Modify Date: 2025-08-26 13:47:56

1,2-Propanediol, 3-(8-quinolyloxy)- Structure
1,2-Propanediol, 3-(8-quinolyloxy)- structure
Common Name 1,2-Propanediol, 3-(8-quinolyloxy)-
CAS Number 56469-01-3 Molecular Weight 219.23700
Density 1.295g/cm3 Boiling Point 452.8ºC at 760 mmHg
Molecular Formula C12H13NO3 Melting Point N/A
MSDS N/A Flash Point 227.6ºC

 Names

Name 3-quinolin-8-yloxypropane-1,2-diol

 Chemical & Physical Properties

Density 1.295g/cm3
Boiling Point 452.8ºC at 760 mmHg
Molecular Formula C12H13NO3
Molecular Weight 219.23700
Flash Point 227.6ºC
Exact Mass 219.09000
PSA 62.58000
LogP 0.96680
Index of Refraction 1.642
InChIKey RFXGIRLHEACEHX-UHFFFAOYSA-N
SMILES OCC(O)COc1cccc2cccnc12

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TZ1143000
CHEMICAL NAME :
1,2-Propanediol, 3-(8-quinolyloxy)-
CAS REGISTRY NUMBER :
56469-01-3
BEILSTEIN REFERENCE NO. :
0178787
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C12-H13-N-O3
MOLECULAR WEIGHT :
219.26
WISWESSER LINE NOTATION :
T66 BNJ JO1YQ1Q

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 :
548 mg/kg
TOXIC EFFECTS :
Peripheral Nerve and Sensation - flaccid paralysis without anesthesia (usually neuromuscular blockage) Behavioral - muscle weakness Lungs, Thorax, or Respiration - other changes
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 93,470,1948

 Synthetic Route

~39%

1,2-Propanediol, 3-(8-quinolyloxy)- Structure

1,2-Propanediol...

CAS#:56469-01-3

Literature: Dishong, Dennis M.; Diamond, Craig J.; Cinoman, Michael I.; Gokel, Geoge W. Journal of the American Chemical Society, 1983 , vol. 105, # 3 p. 586 - 593

~%

1,2-Propanediol, 3-(8-quinolyloxy)- Structure

1,2-Propanediol...

CAS#:56469-01-3

Literature: Otsuka Pharmaceutical Co., Ltd. Patent: US4065456 A1, 1977 ; US 4065456 A

~%

1,2-Propanediol, 3-(8-quinolyloxy)- Structure

1,2-Propanediol...

CAS#:56469-01-3

Literature: Fuentes An. Fac. Farm Bioquim. Univ. San Marcos, 1952 , vol. 3, p. 501,506
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