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07038

Supelco

Dimethyl terephthalate

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

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About This Item

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

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

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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.

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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)

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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