40818
Terephthalic acid
analytical standard
Synonym(s):
Benzene-1,4-dicarboxylic acid
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About This Item
Linear Formula:
C6H4-1,4-(CO2H)2
CAS Number:
Molecular Weight:
166.13
UNSPSC Code:
85151701
NACRES:
NA.24
PubChem Substance ID:
EC Number:
202-830-0
Beilstein/REAXYS Number:
1909333
MDL number:
grade
analytical standard
Quality Segment
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
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.
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.
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Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
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