3-Ethylcoumarin

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Names

[ 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

Click to get detail synthetic route

Precursor & DownStream

Precursor

Salicylaldehyde
Crotonaldehyde
2-(butyryloxy)benzaldehyde
3-ethylchroman-2-one
2-Methylbenzyl Alcohol
Butyryl chloride
ethyl 3-ethyl-2-oxochromane-3-carboxylate
Butanoic anhydride
Benzaldehyde,2-(acetyloxy)-
Phosphorus pentachloride

DownStream

Related Compounds

3-(1-thiophen-3-ylpropyl)thiophene
3-[(4-chloro-3-methyl-phenoxy)methyl]-5-(4-fluorophenyl)-4-(4-methylph enyl)-1,2,4-triazole
3-CHLORO-4-(ISOPROPYLSULFONYL)THIOPHENE-2-CARBOXYLIC ACID
3-[(4-chloro-3-methylphenoxy)methyl]-4,5-bis(4-methylphenyl)-1,2,4-triazole
3-(4-chlorophenyl)-5-[(4-methylphenoxy)methyl]-4-(4-methylphenyl)-1,2,4-triazole
3-[(4-methylphenoxy)methyl]-4,5-bis(4-methylphenyl)-1,2,4-triazole