40818

Terephthalic acid

analytical standard

• Synonym(s): Benzene-1,4-dicarboxylic acid
• Linear Formula: C₆H₄-1,4-(CO₂H)₂
• CAS Number: 100-21-0
• Molecular Weight: 166.13
• Beilstein: 1909333
• EC Number: 202-830-0
• MDL number: MFCD00002558
• UNSPSC Code: 85151701
• PubChem Substance ID: 329755948
• NACRES: NA.24

Properties

• grade: analytical standard
• Quality Level: 100
• vapor pressure: <0.01 mmHg ( 20 °C)
• Assay: ≥98.0% (GC); 97.5-102.5% (T)
• autoignition temp.: 925 °F
• shelf life: limited shelf life, expiry date on the label
• technique(s): HPLC: suitable; gas chromatography (GC): suitable
• mp: >300 °C (lit.)
• format: neat
• SMILES string: OC(=O)c1ccc(cc1)C(O)=O
• InChI: 1S/C8H6O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H,(H,9,10)(H,11,12)
• InChI key: KKEYFWRCBNTPAC-UHFFFAOYSA-N

Description

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

Application

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

Other Notes

Ion Mobility: ^TWCCS_N2 value of 129.7 Å2 [M-H]^-

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 40818 is part of the Waters Extractables & Leachables UNIFI scientific library which can be downloaded from Waters Marketplace.

Safety Information

• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable