74658

1,2,4,5-Tetramethylbenzene

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

• Synonym(s): Durene, 1,2,4,5-Tetramethylbenzene
• Linear Formula: C₆H₂(CH₃)₄
• CAS Number: 95-93-2
• Molecular Weight: 134.22
• Beilstein: 1903393
• EC Number: 202-465-7
• MDL number: MFCD00008528
• UNSPSC Code: 41116107
• eCl@ss: 39011404
• PubChem Substance ID: 329765774
• NACRES: NA.24

Properties

• grade: Standard for quantitative NMR; certified reference material; TraceCERT^®
• Quality Level: 300
• vapor density: 4.6 (vs air)
• vapor pressure: 160 mmHg ( 140 °C)
• description: qNMR Standard for organic solvents (6.9 ppm / 2.2 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: 76-80 °C (lit.)
• density: 0.838 g/mL at 25 °C (lit.)
• application(s): cleaning products; cosmetics; environmental; flavors and fragrances; food and beverages; personal care; pharmaceutical
• format: neat
• SMILES string: Cc1cc(C)c(C)cc1C
• InChI: 1S/C10H14/c1-7-5-9(3)10(4)6-8(7)2/h5-6H,1-4H3
• InChI key: SQNZJJAZBFDUTD-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

• 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).

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

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Legal Information

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

Safety Information

• Pictograms: GHS02,GHS09
• Signal Word: Danger
• Hazard Statements: H228,H410
• Precautionary Statements: P210 - P240 - P241 - P273 - P280 - P370 + P378
• Hazard Classifications: Aquatic Acute 1 - Aquatic Chronic 1 - Flam. Sol. 1
• Storage Class Code: 4.1B - Flammable solid hazardous materials
• WGK: WGK 1
• Flash Point(F): 165.2 °F - closed cup
• Flash Point(C): 74 °C - closed cup