Dimethylmalonic acid

SIAL/89151 - Standard for quantitative NMR, TraceCERT^®, Manufactured by: Sigma-Aldrich Production GmbH, Switzerland

CAS Number: 595-46-0
Empirical Formula (Hill Notation): C₅H₈O₄
Molecular Weight: 132.11
EC Number: 209-867-1
MDL Number: MFCD00004193
Linear Formula: (CH₃)₂C(COOH)₂
Product Type: Chemical

Catalog Number	PKG Qty.	Price


45-89151-1G	1 g	$208.00 1/EA	Add To Favorites

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Properties
Descriptions
Safety Info.
Basic Data

application(s)	cleaning products cosmetics flavors and fragrances food and beverages personal care pharmaceutical
description	qNMR Standard for D₂O and organic solvents (1.3 - 1.4 ppm)
format	neat
grade	TraceCERT^®
	certified reference material
	Standard for quantitative NMR
InChI	1S/C5H8O4/c1-5(2,3(6)7)4(8)9/h1-2H3,(H,6,7)(H,8,9)
InChI key	OREAFAJWWJHCOT-UHFFFAOYSA-N
manufacturer/tradename	Manufactured by: Sigma-Aldrich Production GmbH, Switzerland
mp	191-193 °C (lit.)
Quality Level	300
shelf life	limited shelf life, expiry date on the label
SMILES string	CC(C)(C(O)=O)C(O)=O
storage temp.	2-8°C
technique(s)	gas chromatography (GC): suitable
	qNMR: suitable

Application:	Metabolic enzyme research: A study involving ECHDC1 knockout mice, which affect metabolism of branched-chain fatty acids, referenced the role of derivatives like dimethylmalonic acid in understanding metabolic disorders. This research is significant for biochemical studies related to metabolism and enzyme function (Dewulf et al., 2021 ). NMR-based metabolomics: Utilizing NMR techniques, researchers have analyzed metabolites in biological samples, demonstrating the utility of dimethylmalonic acid in enhancing the resolution of metabolic profiling. This methodology is valuable in biochemical research, especially in studying complex biological matrices (Tang & Hatzakis, 2020 ).
General description:	This certified reference material (CRM) is produced and certified in accordance with ISO/IEC 17025 and ISO 17034. This CRM is traceable to primary material from an NMI, e.g. NIST or NMIJ. Certified content by quantitative NMR incl. uncertainty and expiry date are given on the certificate. Download your certificate at: http://www.sigma-aldrich.com. Check out our entire range of quantitative NMR standards (qNMR standards)
Legal Information:	TraceCERT is a registered trademark of Merck KGaA, Darmstadt, Germany
Other Notes:	Chemical Shift: 1.3 - 1.4 ppm (chemical shifts may slightly vary depending on the experimental conditions) suitable NMR solvents: MeOD, D2O, DMSO-d₆
Recommended products:	Find a digital Reference Material for this product available on our online platform ChemisTwin® for NMR. You can use this digital equivalent on ChemisTwin® for your sample identity confirmation and compound quantification (with digital external standard). An NMR spectrum of this substance can be viewed and an online comparison against your sample can be performed with a few mouseclicks. Learn more here and start your free trial .

Hazard Codes	Xi
Risk Statements	36/37/38
Safety Statements	26-36
RIDADR	NONH for all modes of transport
WGK Germany	WGK 3
Flash Point(F)	Not applicable
Flash Point(C)	Not applicable

mp	191-193 °C (lit.)
Storage Temp.	2-8°C
UNSPSC	41116107

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