Diethyl (2H9)butylmalonate

Modify Date: 2024-01-15 10:30:59

Diethyl (2H9)butylmalonate structure	Common Name	Diethyl (2H9)butylmalonate
	CAS Number	1189865-34-6	Molecular Weight	225.330
	Density	1.0±0.1 g/cm3	Boiling Point	237.5±0.0 °C at 760 mmHg
	Molecular Formula	C₁₁H₁₁D₉O₄	Melting Point	N/A
	MSDS	N/A	Flash Point	93.9±0.0 °C

Use of Diethyl (2H9)butylmalonate

Diethyl butylmalonate-d9 is the deuterium labeled Diethyl butylmalonate[1]. Diethyl butylmalonate exhibits toxicity to T. pyriformis, with a log(IGC50-1) of 0.557[2].

Name	Diethyl 2-n-Butylmalonate-d9
Synonym	More Synonyms

Description	Diethyl butylmalonate-d9 is the deuterium labeled Diethyl butylmalonate[1]. Diethyl butylmalonate exhibits toxicity to T. pyriformis, with a log(IGC50-1) of 0.557[2].
Related Catalog	Research Areas >> Infection 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]. T I Netzeva, et al. Partial least squares modelling of the acute toxicity of aliphatic compounds to Tetrahymena pyriformis. SAR QSAR Environ Res. 2003 Aug;14(4):265-83.

Density	1.0±0.1 g/cm3
Boiling Point	237.5±0.0 °C at 760 mmHg
Molecular Formula	C₁₁H₁₁D₉O₄
Molecular Weight	225.330
Flash Point	93.9±0.0 °C
Exact Mass	225.192657
PSA	52.60000
LogP	2.64
Vapour Pressure	0.0±0.4 mmHg at 25°C
Index of Refraction	1.433

Diethyl (H)butylmalonate

Propanedioic acid, 2-(butyl-d)-, diethyl ester

diethyl 2-(1,1,2,2,3,3,4,4,4-nonadeuteriobutyl)propanedioate

Diethyl (2H9)butylmalonate

Use of Diethyl (2H9)butylmalonate

Names

Diethyl (2H9)butylmalonate Biological Activity

Chemical & Physical Properties

Synonyms