2-Acetyl-3-hydroxy-4,4,4-trifluoro-3-(trifluoromethyl)butyric acid ethyl ester

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Names

[ CAS No. ]:
680-09-1

[ Name ]:
2-Acetyl-3-hydroxy-4,4,4-trifluoro-3-(trifluoromethyl)butyric acid ethyl ester

Chemical & Physical Properties

[ Molecular Formula ]:
C9H10F6O4

[ Molecular Weight ]:
296.16400

[ Exact Mass ]:
296.04800

[ PSA ]:
63.60000

[ LogP ]:
1.61040

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
ES5730000
CHEMICAL NAME :
Butyric acid, 2-acetyl-3-hydroxy-4,4,4-trifluoro-3-(trifluoromethyl )-, ethyl ester
CAS REGISTRY NUMBER :
680-09-1
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C9-H10-F6-O4
MOLECULAR WEIGHT :
296.19
WISWESSER LINE NOTATION :
FXFFXQXFFFYV1&VO2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
800 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 13,1215,1970
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 13,1215,1970

Related Compounds

  • 3-(2,3,5,6-Tetrafluorophenyl)azetidin-3-ol
  • 3-Ethoxy-2-hydroxybenzene-1-carboximidamide
  • 2-(3,5-Dimethoxypyridin-4-yl)ethane-1-thiol
  • (3,5-Dimethoxypyridin-4-yl)methanethiol
  • 3,5-Dimethoxy-4-(pyrrolidin-3-yloxy)pyridine
  • Methyl 3-amino-2-(quinoxalin-2-yl)propanoate
  • 2-Fluoro-1-(furan-2-yl)ethan-1-ol
  • 1,5-Difluoro-3-(2-isocyanatoethyl)-2-methoxybenzene
  • 3-[(3-Methyl-2-nitrophenyl)methyl]pyrrolidin-3-ol
  • Methyl 2-hydroxy-3-(3-methyl-2-nitrophenyl)propanoate
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