89151

Dimethylmalonic acid

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

• Linear Formula: (CH₃)₂C(COOH)₂
• CAS Number: 595-46-0
• Molecular Weight: 132.11
• Beilstein: 774375
• EC Number: 209-867-1
• MDL number: MFCD00004193
• UNSPSC Code: 41116107
• PubChem Substance ID: 329769707
• NACRES: NA.24

Properties

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

Description

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)

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).

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.

Legal Information

TraceCERT is a registered trademark of Merck KGaA, Darmstadt, Germany

Safety Information

• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable