Ethyl acetoacetate-13c

Modify Date: 2024-01-05 12:58:08

Ethyl acetoacetate-13c structure	Common Name	Ethyl acetoacetate-13c
	CAS Number	61973-42-0	Molecular Weight	131.13400
	Density	1.037 g/mL at 25ºC	Boiling Point	181ºC(lit.)
	Molecular Formula	C₆H₁₀O₃	Melting Point	-43ºC(lit.)
	MSDS	Chinese USA	Flash Point	84ºC
	Symbol	GHS07	Signal Word	Warning

Use of Ethyl acetoacetate-13c

Ethyl acetoacetate-13C is the 13C labeled Ethyl acetoacetate[1]. Ethyl acetoacetate (Ethyl acetylacetate) is an ester widely used as an intermediate in the synthesis of many varieties of compounds[2][3][4]. Ethyl acetoacetate is an inhibitor of bacterial biofilm[5].

Name	Ethyl acetoacetate-3-13C
Synonym	More Synonyms

Description	Ethyl acetoacetate-13C is the 13C labeled Ethyl acetoacetate[1]. Ethyl acetoacetate (Ethyl acetylacetate) is an ester widely used as an intermediate in the synthesis of many varieties of compounds[2][3][4]. Ethyl acetoacetate is an inhibitor of bacterial biofilm[5].
Related Catalog	Research Areas >> Others Signaling Pathways >> Anti-infection >> Bacterial
In Vitro	Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs[1].
References	[1]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53(2):211-216. [2]. Rao M.Uppu, et al. Enantioselective catalytic asymmetric hydrogenation of ethyl acetoacetate in room temperature ionic liquids. Biochemical and Biophysical Research Communications. 1996 Dec; 229(3):764-769. [3]. Leo F. Salter, et al. A dual‐frequency Belousov Zhabotinskii oscillating reaction with ethyl acetoacetate as organic substrate. substrate. International Journal of Chemical Kinetics. 1982. 14(8), 815–821. [4]. Iqbal S, et al. 2-Oxo-1,2,3,4-tetrahydropyrimidines Ethyl Esters as Potent β- Glucuronidase Inhibitors: One-pot Synthesis, In vitro and In silico Studies. Med Chem. 201814(8):818-830. [5]. Horne SM, et al. Acetoacetate and ethyl acetoacetate as novel inhibitors of bacterial biofilm. Lett Appl Microbiol. 2018 Apr66(4):329-339.

Density	1.037 g/mL at 25ºC
Boiling Point	181ºC(lit.)
Melting Point	-43ºC(lit.)
Molecular Formula	C₆H₁₀O₃
Molecular Weight	131.13400
Flash Point	84ºC
Exact Mass	131.06600
PSA	43.37000
LogP	0.52860
Index of Refraction	n20/D 1.419(lit.)

Symbol	GHS07
Signal Word	Warning
Hazard Statements	H315-H319-H335
Precautionary Statements	P261-P305 + P351 + P338
Hazard Codes	Xi
Risk Phrases	36/37/38-41
Safety Phrases	26-36
RIDADR	UN 1993 / PGIII