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

Modify Date: 2025-08-23 17:15:00

2-Acetyl-3-hydroxy-4,4,4-trifluoro-3-(trifluoromethyl)butyric acid ethyl ester structure	Common Name	2-Acetyl-3-hydroxy-4,4,4-trifluoro-3-(trifluoromethyl)butyric acid ethyl ester
	CAS Number	680-09-1	Molecular Weight	296.16400
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₉H₁₀F₆O₄	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A

Name	ethyl 2-acetyl-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanoate

Molecular Formula	C₉H₁₀F₆O₄
Molecular Weight	296.16400
Exact Mass	296.04800
PSA	63.60000
LogP	1.61040

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

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