07038

Dimethyl terephthalate

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

• Linear Formula: C₆H₄-1,4-(CO₂CH₃)₂
• CAS Number: 120-61-6
• Molecular Weight: 194.18
• Beilstein: 1107185
• EC Number: 204-411-8
• MDL number: MFCD00008440
• UNSPSC Code: 41116107
• PubChem Substance ID: 329748331
• NACRES: NA.24

Properties

• grade: certified reference material; TraceCERT^®
• Quality Level: 200; 300
• vapor density: 1.04 (vs air)
• vapor pressure: 1.15 mmHg ( 93 °C)
• description: qNMR Standard for DMSO-d₆ (9.2 ppm)
• product line: TraceCERT^®
• autoignition temp.: 1058 °F
• 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 ((standard)); qNMR: suitable
• mp: 139-141 °C (lit.)
• application(s): cleaning products; cosmetics; environmental; flavors and fragrances; food and beverages; personal care; pharmaceutical
• format: neat
• SMILES string: COC(=O)c1ccc(cc1)C(=O)OC
• InChI: 1S/C10H10O4/c1-13-9(11)7-3-5-8(6-4-7)10(12)14-2/h3-6H,1-2H3
• InChI key: WOZVHXUHUFLZGK-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)

This substance is listed on the positive list of the EU regulation 10/2011 for plastics intended to come into contact with food. Find all available reference materials for compounds listed in 10/2011 here

Other Notes

Check out ChemisTwin, our brand new online portal for identity confirmation of NMR spectra. A feature for quantitative NMR is in development. Learn more or reach out to us for a free trial.

Chemcial Shift: 8.1 and 3.9 ppm (chemical shifts may slightly vary depending on the experimental conditions)
Suitable NMR solvents: Acetonitrile, Chloroform, MeOD, DMSO-d₆

Ion Mobility: ^TWCCS_N2 value of 217.3 Å2 [M+Na]⁺

The collision cross section (CCS) measurement was provided by Waters Corporation, using the SYNAPT XS mass spectrometer.
For a description and overview of how ion mobility enables the measurement of the CCS of an ion visit ims.waters.com.
Further information on the SYNAPT XS mass spectrometer can be found on the IMS microsite and product webpage.

^TWCCS measurements are expected to be within 2% of this reference value.

P/N 88173 is part of the Waters Extractables & Leachables UNIFI scientific library which can be downloaded from Waters Marketplace.

Legal Information

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

Disclaimer

Store under Argon.

Safety Information

• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 1
• Flash Point(F): 309.2 °F - (External MSDS)
• Flash Point(C): 154 °C - (External MSDS)