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1,2,4,5-Tetramethylbenzene

SIAL/74658 - Standard for quantitative NMR, TraceCERT®, Manufactured by: Sigma-Aldrich Production GmbH, Switzerland

Synonym: Durene; 1,2,4,5-Tetramethylbenzene

CAS Number: 95-93-2
Empirical Formula (Hill Notation): C10H14
Molecular Weight: 134.22
EC Number: 202-465-7
MDL Number: MFCD00008528
Linear Formula: C6H2(CH3)4
Product Type: Chemical
Catalog Number PKG Qty. Price Quantity
45-74658-1G 1 g
 $208.00
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This picture is provided solely for illustration purposes. Optical properties of the actual product may deviate. Relevant product information is printed on labeled products and other accompanying or available information material. This image depicts SKU: 74658-1G

 

application(s) cleaning products
cosmetics
environmental
flavors and fragrances
food and beverages
personal care
pharmaceutical
density 0.838 g/mL at 25 °C (lit.)
description qNMR Standard for organic solvents (6.9 ppm / 2.2 ppm)
format neat
grade TraceCERT®
  certified reference material
  Standard for quantitative NMR
InChI 1S/C10H14/c1-7-5-9(3)10(4)6-8(7)2/h5-6H,1-4H3
InChI key SQNZJJAZBFDUTD-UHFFFAOYSA-N
manufacturer/tradename Manufactured by: Sigma-Aldrich Production GmbH, Switzerland
mp 76-80 °C (lit.)
Quality Level 300 
shelf life limited shelf life, expiry date on the label
SMILES string Cc1cc(C)c(C)cc1C
technique(s) gas chromatography (GC): suitable
  qNMR: suitable
vapor density 4.6 (vs air)
vapor pressure 160 mmHg ( 140 °C)
Application:

  • OH-initiated Degradation of 1,2,4,5-Tetramethylbenzene: Research on the environmental behavior of 1,2,4,5-tetramethylbenzene highlights its degradation mechanisms and kinetics when exposed to OH radicals, underscoring its impact on air quality and potential ecological risks. This study is essential for environmental monitoring and management strategies involving aromatic hydrocarbons (Zhao et al., 2022 ).

  • Low-Temperature Curing of Liquid Polybutadiene Using Nitrile Oxide: This study explores the application of 1,2,4,5-tetramethylbenzene in enhancing the curing process of liquid polybutadiene at low temperatures, illustrating its role as an effective solvent in the synthesis of polymers. Such applications are crucial for the development of advanced materials with improved performance characteristics (Li and Wang, 2022 ).

  • Hygroscopic Properties of Calibration Standards for NMR Spectroscopy: 1,2,4,5-Tetramethylbenzene′s utility in nuclear magnetic resonance (NMR) spectroscopy as a calibration standard is detailed, focusing on its hygroscopic tendencies which affect the accuracy of quantitative analyses. This is vital for ensuring the reliability and precision of chemical measurements in research and industrial applications (Suiter and Widegren, 2021 ).

  • Novel Sampling Strategy for Alive Animal Volatolome Extraction: The compound′s use in gas chromatography-mass spectrometry (GC-MS) based untargeted metabolomics for identifying pheromones in animal studies showcases its applicability in complex biological analyses, which is significant for advancements in veterinary and behavioral sciences (Lacalle-Bergeron et al., 2021 ).

  • Microbial Degradation of Aromatic Hydrocarbons: The research on microbial degradation pathways of mobile aromatic hydrocarbons including 1,2,4,5-tetramethylbenzene provides insights into environmental remediation techniques. This is especially relevant for the biodegradation processes necessary for reducing pollution from dense non-aqueous phase liquids (DNAPLs) (Van Leeuwen et al., 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: Chemcial Shift: 2.3 + 7.0 ppm (chemical shifts may slightly vary depending on the experimental conditions)
Suitable NMR solvents: CDCl3
Recommended products: Find a digital Reference Material for this product availableon our online platform ChemisTwin®  for NMR. You can use thisdigital equivalent on ChemisTwin®  for your sample identityconfirmation and compound quantification (with digital external standard). AnNMR spectrum of this substance can be viewed and an online comparison againstyour sample can be performed with a few mouseclicks. Learn more here  and start your free trial .
mp 76-80 °C (lit.)
Density 0.838 g/mL at 25 °C (lit.)
UNSPSC 41116107

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