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

  • 4-[5-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-methylpentanamido]-2-hydroxybutanoic acid
  • 1-[5-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-methylpentanoyl]-3-methylpyrrolidine-2-carboxylic acid
  • 2-[3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-2,2-difluoropropanamido]-4-fluorobenzoic acid
  • 3-{[3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-2-fluorophenyl]formamido}-2-hydroxy-2-methylpropanoic acid
  • 3-[2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-N-(4-methylphenyl)propanamido]propanoic acid
  • 4-[(2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-methylbutanamido]oxolane-3-carboxylic acid
  • (3R)-3-[(2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3,3-dimethylbutanamido]hexanoic acid
  • 1-{2-[2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)acetamido]acetyl}-3-methylpiperidine-2-carboxylic acid
  • 3-[({2-benzyl-octahydrocyclopenta[c]pyrrol-3a-yl}methyl)carbamoyl]-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid
  • 3-[3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-2,2-difluoropropanoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
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