Skip to Content
Merck

89151

Dimethylmalonic acid

qNMR standard, TraceCERT®, Manufactured by: Sigma-Aldrich Production GmbH, Switzerland

Sign In to View Organizational & Contract Pricing.

Select a Size

About This Item

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

Key Documents

View All Documentation
Technical Service
Need help? Our team of experienced scientists is here for you.
Let Us Assist
Technical Service
Need help? Our team of experienced scientists is here for you.
Let Us Assist

InChI

1S/C5H8O4/c1-5(2,3(6)7)4(8)9/h1-2H3,(H,6,7)(H,8,9)

SMILES string

CC(C)(C(O)=O)C(O)=O

InChI key

OREAFAJWWJHCOT-UHFFFAOYSA-N

grade

certified reference material, TraceCERT®

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

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

Quality Level

300

Looking for similar products? Visit Product Comparison Guide

Related Categories

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)
This certified reference material (CRM) is produced in accordance with ISO 17034 and characterized in accordance with ISO/IEC 17025. This CRM is traceable to SI unit kg and measured against primary material from a National Metrology Institute (NMI), e.g. NIST.

Please visit ISO certificates and Site Quality Self-Assessments to access the current certificates of accreditation.

Search & download your certificate here.

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
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

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

89151-5G: + 89151-1G: + 89151-VAR: + 89151-BULK:

jan

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

M Phillips et al.
Clinical chemistry, 38(1), 60-65 (1992-01-01)
We describe a method for the collection and microanalysis of the volatile organic compounds in human breath. A transportable apparatus supplies subjects with purified air and samples their alveolar breath; the volatile organic compounds are captured in an adsorptive trap
O Kniemeyer et al.
Applied and environmental microbiology, 65(8), 3319-3324 (1999-07-31)
The microbial capacity to degrade simple organic compounds with quaternary carbon atoms was demonstrated by enrichment and isolation of five denitrifying strains on dimethylmalonate as the sole electron donor and carbon source. Quantitative growth experiments showed a complete mineralization of
James R Harbridge et al.
Journal of magnetic resonance (San Diego, Calif. : 1997), 159(2), 195-206 (2002-12-17)
The effects of methyl rotation on electron spin-lattice relaxation times were examined by pulsed electron paramagnetic resonance for the major radicals in gamma-irradiated polycrystalline alpha-amino isobutyric acid, dimethyl-malonic acid, and L-valine. The dominant radical is the same in irradiated dimethyl-malonic
P A Frey et al.
Science (New York, N.Y.), 264(5167), 1927-1930 (1994-06-24)
Spectroscopic properties of chymotrypsin and model compounds indicate that a low-barrier hydrogen bond participates in the mechanism of serine protease action. A low-barrier hydrogen bond between N delta 1 of His57 and the beta-carboxyl group of Asp102 in chymotrypsin can
J Schneede et al.
Analytical chemistry, 67(5), 812-819 (1995-03-01)
Methylmalonic acid (MMA) in serum is an established marker of cobalamin deficiency. MMA and other short-chain dicarboxylic acids react with 1-pyrenyldiazomethane to form stable, highly fluorescent 1-pyrenylmethyl monoesters. We have analyzed these esters in human blood by capillary electrophoresis (CE)
View All Related Papers

Articles

High-Performance Quantitative H-1 NMR

The signal ratio of two different protons can be measured with tremendous precision, which enables the generation of certified reference materials for use as qNMR standards.

NMR Chemical Shifts of Impurities

NMR shift charts assist in identifying impurities in deuterated solvents, aiding accurate chemical analysis.

ChemisTwin® Portal FAQ

Learn about ChemisTwin® Portal, an online analytical spectra interpretation tool. Discover its NMR lab benefits, workflow integration, and user responsibilities. Explore dRMs, algorithm accuracy, data formats, subscription possibilities, and more.

Related Content

ChemisTwin®・デジタルリファレンスマテリアル（dRM）

ChemisTwin®は、電子的なリファレンスマテリアルを用いて、NMR結果の解釈を自動化し、構造確認や定量的NMR測定にかかる時間を短縮します。

ChemisTwin™ & Digital Reference materials (dRMs)

ChemisTwin automates NMR result interpretation, saving time with structure confirmation and quantitative NMR measurements using electronic Reference Materials.

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service