3-Ethylcoumarin

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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

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

  • Salicylic acid

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
  • 3-Methyl-2-(methylamino)-2,4,5,6-tetrahydrocyclopenta[c]pyrrole-1-carboxylic acid
  • N-[(1S)-1-cyanoethyl]-2-fluoro-4-methoxybenzamide
  • (6-Methoxy-3-methylpyridin-2-yl)methanamine
  • (R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2-(3,3-difluorocyclobutyl)acetic acid
  • 2-Ethenyloxolan-3-amine hydrochloride
  • 2-chloro-7H-pyrrolo[2,3-d]pyrimidine-6-carbaldehyde
  • 3-(Difluoromethyl)bicyclo[1.1.1]pentan-1-amine
  • Benzyl 4-(chlorosulfonyl)-2,3-dihydro-1H-indole-1-carboxylate
  • N-(Cyanomethyl)-2-(7-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
  • 2-(Difluoromethyl)-4H,6H,7H,8H,9H-pyrido[1,2-a]pyrimidin-4-one
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