Skip to Content
Merck
All Photos(2)

Key Documents

07038

Supelco

Dimethyl terephthalate

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

Sign Into View Organizational & Contract Pricing


About This Item

Linear Formula:
C6H4-1,4-(CO2CH3)2
CAS Number:
Molecular Weight:
194.18
Beilstein:
1107185
EC Number:
MDL number:
UNSPSC Code:
41116107
PubChem Substance ID:
NACRES:
NA.24

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

Looking for similar products? Visit Product Comparison Guide

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

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
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.

Legal Information

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

Storage Class Code

11 - Combustible Solids

WGK

WGK 1

Flash Point(F)

309.2 °F - (External MSDS)

Flash Point(C)

154 °C - (External MSDS)


Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number

Don't see the Right Version?

If you require a particular version, you can look up a specific certificate by the Lot or Batch number.

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

L Tserovska et al.
Acta microbiologica Bulgarica, 30, 61-66 (1993-01-01)
The microbial association 189 was isolated from soil treated with dimethylterephthalate (DMT) for a long time. The dynamics of its growth, respectively the degradation of the terephthalate ester known as an environmental pollutant has been studied.
[The basophil degranulation reaction as a method for detecting allergy and autoallergy to common chemical compounds].
G I Vinogradov et al.
Laboratornoe delo, (6)(6), 339-341 (1984-01-01)
D S Patel et al.
Indian journal of experimental biology, 36(3), 321-324 (1998-10-01)
Comamonas acidovorans D-4, capable of utilizing dimethylterephthalate (DMT) as the sole carbon source, was isolated from the activated sludge of petrochemical wastewater treatment plant. Almost complete utilization of as high as 0.5% (w/v) DMT was observed in 72 hr. Growth
Yu Ping Wang et al.
Ecotoxicology (London, England), 15(6), 549-557 (2006-09-07)
Two strains of bacteria were isolated from deep-ocean sediments of the South China Sea using enrichment culturing technique and they were identified as Sphingomonas yanoikuyae DOS01 (AY878409) and Variovorax paradoxus T4 (AY878410) based on 16S rRNA gene sequences. S. yanoikuyae
Liheng Feng et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 61(11-12), 2505-2509 (2005-07-27)
A novel luminescent compound, 9,9-bis[4'-(beta-naphthyl-methacrylate)phenyl]fluorene (F-NMAP) is synthesized by Heck reaction of beta-naphthyl methacrylic ester (NMAE) and 9,9-bis(4'-iodophenyl)-fluorene (BIPF). The structure is characterized by MS, 1H NMR, IR, and UV-vis spectroscopy. The photophysical processes of F-NMAP have been carefully investigated

Articles

The use of CRMs for the NMR quantification of phosphorylated organic compounds and metabolites offers several advantages as it is based on a signal comparison of the analyte with an internal or external reference standard.

The signal ratio of two different protons can be measured with tremendous precision, which enables the generation of certified reference materials for use as qNMR standards.

NMR shift charts assist in identifying impurities in deuterated solvents, aiding accurate chemical analysis.

NMR shift charts assist in identifying impurities in deuterated solvents, aiding accurate chemical analysis.

See All

Related Content

ChemisTwin automates NMR result interpretation, saving time with structure confirmation and quantitative NMR measurements using electronic Reference Materials.

ChemisTwin automates NMR result interpretation, saving time with structure confirmation and quantitative NMR measurements using electronic Reference Materials.

ChemisTwin automates NMR result interpretation, saving time with structure confirmation and quantitative NMR measurements using electronic Reference Materials.

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service