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89151

Dimethylmalonic acid

TraceCERT®, certified reference material, 1H-qNMR Standard, Manufactured by: Sigma-Aldrich Production GmbH, Switzerland

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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
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Quality Level

300

description

qNMR Standard for D2O and organic solvents (1.3 - 1.4 ppm)

grade

certified reference material, TraceCERT®

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

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

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

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Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

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’.

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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
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
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
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