Description
Dimethyl terephthalate
Standard for quantitative NMR, TraceCERT®, Manufactured by: Sigma-Aldrich Production GmbH, Switzerland
About This Item
Linear Formula:
C6H4-1,4-(CO2CH3)2
CAS Number:
120-61-6
Molecular Weight:
194.18
Beilstein/REAXYS Number:
1107185
EC Number:
204-411-8
MDL number:
MFCD00008440
UNSPSC Code:
41116107
PubChem Substance ID:
329748331
NACRES:
NA.24
Properties
grade
Standard for quantitative NMR
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
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)
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
Caution
Store under Argon.
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
Suitable NMR solvents: Acetonitrile, Chloroform, MeOD, DMSO-d6
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.
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
Safety Information
wgk_germany
WGK 1
flash_point_f
(External MSDS)
flash_point_c
(External MSDS)
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