3-Ethylcoumarin

Modify Date: 2025-08-25 12:32:30

3-Ethylcoumarin Structure
3-Ethylcoumarin structure
 Common Name 3-Ethylcoumarin
CAS Number 66898-39-3 Molecular Weight 174.19600
Density 1.141g/cm3 Boiling Point 299ºC at 760 mmHg
Molecular Formula C11H10O2 Melting Point N/A
MSDS N/A Flash Point 126.7ºC

 Names

Name 3-ethylchromen-2-one
Synonym More Synonyms

 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
InChIKey LKAXCASKXOSFIU-UHFFFAOYSA-N
SMILES CCc1cc2ccccc2oc1=O

 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

 Synonyms

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
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