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40818

Supelco

Terephthalic acid

analytical standard

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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

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

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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: TWCCSN2 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.

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

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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Kamonporn Panngom et al.
PloS one, 9(6), e99300-e99300 (2014-06-10)
Reactive oxygen and nitrogen species can have either harmful or beneficial effects on biological systems depending on the dose administered and the species of organism exposed, suggesting that application of reactive species can possibly produce contradictory effects in disease control
Ji-Wei Zhang et al.
Biochemical and biophysical research communications, 458(1), 82-85 (2015-01-31)
Wilson disease is an inherited disorder of excessive copper accumulation. The commonly used drug d-penicillamine (PA) or trientine both cause a high incidence (10-50%) of neurological worsening, which rarely occurs with tetrathiomolybdate (TM) treatment. To investigate the mechanisms of neurologic
Gwendolyn L Ball et al.
Critical reviews in toxicology, 42(1), 28-67 (2011-11-05)
Polyethylene terephthalate, a copolymer of terephthalic acid (TPA) or dimethyl terephthalate (DMT) with ethylene glycol, has food, beverage, and drinking water contact applications. Di-2-ethylhexyl terephthalate (DEHT) is a plasticizer in food and drinking water contact materials. Oral reference doses (RfDs)
H D Heck et al.
Regulatory toxicology and pharmacology : RTP, 5(3), 294-313 (1985-09-01)
Terephthalic acid (TPA), dimethyl terephthalate (DMT), and melamine (MA) induced calculi and transitional cell hyperplasia in urinary bladders of rats. A high incidence of calculi was induced in weanling rats, but the incidence was much lower in adult rats ingesting
p-Xylene oxidation to terephthalic acid: a literature review oriented toward process optimization and development.
Rogério A F Tomás et al.
Chemical reviews, 113(10), 7421-7469 (2013-06-19)
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