[2,2,2-Trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]malonic acid diethyl ester

Modify Date: 2025-09-12 20:30:07

[2,2,2-Trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]malonic acid diethyl ester structure	Common Name	[2,2,2-Trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]malonic acid diethyl ester
	CAS Number	680-08-0	Molecular Weight	326.19000
	Density	1.41g/cm3	Boiling Point	294.7ºC at 760 mmHg
	Molecular Formula	C₁₀H₁₂F₆O₅	Melting Point	N/A
	MSDS	N/A	Flash Point	132ºC

Name	diethyl 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)propanedioate

Density	1.41g/cm3
Boiling Point	294.7ºC at 760 mmHg
Molecular Formula	C₁₀H₁₂F₆O₅
Molecular Weight	326.19000
Flash Point	132ºC
Exact Mass	326.05900
PSA	72.83000
LogP	1.58450
Index of Refraction	1.385
InChIKey	HXVWSPYWLBVECZ-UHFFFAOYSA-N
SMILES	CCOC(=O)C(C(=O)OCC)C(O)(C(F)(F)F)C(F)(F)F

CHEMICAL IDENTIFICATION

RTECS NUMBER :: OO1280000

CHEMICAL NAME :: Malonic acid, (1-hydroxy-2,2,2-trifluoro-1-trifluoromethyl)ethyl-, diethyl ester

CAS REGISTRY NUMBER :: 680-08-0

LAST UPDATED :: 199612

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C10-H12-F6-O5

MOLECULAR WEIGHT :: 326.22

WISWESSER LINE NOTATION :: FXFFXQXFFFYVO2&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 :: 1600 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 :: 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

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