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3-Ethylcoumarin

Names

[ CAS No. ]:
66898-39-3

[ Name ]:
3-Ethylcoumarin

[Synonym ]:
3-ethyl-chromen-2-one
COUMARIN,3-ETHYL
3-Ethylcumarin
2H-1-Benzopyran-2-one,3-ethyl
3-Aethyl-cumarin
3-Ethylcoumarin
3-Ethyl-2H-1-benzopyran-2-one

Chemical & Physical Properties

[ Density]:
1.141g/cm3

[ Boiling Point ]:
299ºC at 760 mmHg

[ Molecular Formula ]:
C11H10O2

[ Molecular Weight ]:
174.19600

[ Flash Point ]:
126.7ºC

[ Exact Mass ]:
174.06800

[ PSA ]:
30.21000

[ LogP ]:
2.35540

[ Index of Refraction ]:
1.556

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GN6768500
CHEMICAL NAME :
Coumarin, 3-ethyl-
CAS REGISTRY NUMBER :
66898-39-3
BEILSTEIN REFERENCE NO. :
0133158
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C11-H10-O2
MOLECULAR WEIGHT :
174.21

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
209 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold
REFERENCE :
YKKZAJ Yakugaku Zasshi. Journal of Pharmacy. (Nippon Yakugakkai, 2-12-15 Shibuya, Shibuya-ku, Tokyo 150, Japan) No.1- 1881- Volume(issue)/page/year: 76,186,1956

Synthetic Route

Precursor & DownStream


Related Compounds