Dimethyl terephthalate
SIAL/07038 - Standard for quantitative NMR, TraceCERT®, Manufactured by: Sigma-Aldrich Production GmbH, Switzerland
CAS Number: 120-61-6
Empirical Formula (Hill Notation): C10H10O4
Molecular Weight: 194.18
EC Number: 204-411-8
MDL Number: MFCD00008440
Linear Formula: C6H4-1,4-(CO2CH3)2
Product Type: Chemical
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: 07038-1G
| application(s) | cleaning products cosmetics environmental flavors and fragrances food and beverages personal care pharmaceutical |
| autoignition temp. | 1058 °F |
| description | qNMR Standard for DMSO-d6 (9.2 ppm) |
| format | neat |
| grade | TraceCERT® |
| certified reference material | |
| Standard for quantitative NMR | |
| InChI | 1S/C10H10O4/c1-13-9(11)7- |
| InChI key | WOZVHXUHUFLZGK-UHFFFAOYSA |
| manufacturer/tradename | Manufactured by: Sigma-Aldrich Production GmbH, Switzerland |
| mp | 139-141 °C (lit.) |
| product line | TraceCERT® |
| Quality Level | 200  |
| 300 |
|
| shelf life | limited shelf life, expiry date on the label |
| SMILES string | COC(=O)c1ccc(cc1)C(=O)OC |
| technique(s) | gas chromatography (GC): suitable |
| qNMR: suitable | |
| vapor density | 1.04 (vs air) |
| vapor pressure | 1.15 mmHg ( 93 °C) |
| Caution: | Store under Argon. |
| 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. Check out our entire range of quantitative NMR standards (qNMR standards) |
| General description: | 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 |
| Legal Information: | TraceCERT is a registered trademark of Merck KGaA, Darmstadt, Germany |
| Other Notes: | 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 |
| Other Notes: | Ion Mobility: TWCCSN2 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. |
| Recommended products: | 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. |
| RIDADR | NONH for all modes of transport |
| WGK Germany | WGK 1 |
| Flash Point(F) | 303.8 °F - closed cup |
| Flash Point(C) | 151 °C - closed cup |
| mp | 139-141 °C (lit.) |
| UNSPSC | 41116107 |