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Merck
CN

42304

Isophthalic acid

analytical standard

Synonym(s):

Benzene-1,3-dicarboxylic acid

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About This Item

Linear Formula:
C6H4-1,3-(CO2H)2
CAS Number:
121-91-5
Molecular Weight:
166.13
UNSPSC Code:
85151701
NACRES:
NA.24
PubChem Substance ID:
329756216
EC Number:
204-506-4
Beilstein/REAXYS Number:
1909332
MDL number:
MFCD00002516

Key Documents

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InChI key

QQVIHTHCMHWDBS-UHFFFAOYSA-N

InChI

1S/C8H6O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)(H,11,12)

SMILES string

OC(=O)c1cccc(c1)C(O)=O

grade

analytical standard

assay

≥97.0% (GC)

autoignition temp.

1198 °F

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable, gas chromatography (GC): suitable

mp

341-343 °C (lit.)

application(s)

cleaning products
cosmetics
food and beverages
personal care

format

neat

Quality Level

100

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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.

Application

Isophthalic acid may be used as a reference standard in the analysis of isophthalic acid from PET bottles into edible oils using high performance liquid chromatography (HPLC) technique.
Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

Storage Class

13 - Non Combustible Solids

wgk

WGK 2

flash_point_f

Not applicable

flash_point_c

Not applicable

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Certificates of Analysis (COA)

Lot/Batch Number
BCCH5410
BCCC9310
BCBW5708
BCBR5817V

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HPLC study of migration of terephthalic acid and isophthalic acid from PET bottles into edible oils.
Mousavi K, et al.
Journal of the Science of Food and Agriculture, 94(11), 2205-2209 (2014)
Yucui Hou et al.
The journal of physical chemistry. B, 118(47), 13646-13650 (2014-10-30)
Because of similar properties and very low volatility, isomers of benzene poly(carboxylic acid)s (BPCAs) are very difficult to separate. In this work, we found that isomers of BPCAs could be separated efficiently by quaternary ammonium salts (QASs) via formation of
Dan Song et al.
Journal of neuroscience research, 93(1), 130-139 (2014-08-16)
The cotransporter of Na(+) , K(+) , 2Cl(-) , and water, NKKC1, is activated under two conditions in the brain, exposure to highly elevated extracellular K(+) concentrations, causing astrocytic swelling, and regulatory volume increase in cells shrunk in response to
Kerstin Pohl et al.
Blood, 124(7), 999-1009 (2014-06-18)
Studies have endeavored to reconcile whether dysfunction of neutrophils in people with cystic fibrosis (CF) is a result of the genetic defect or is secondary due to infection and inflammation. In this study, we illustrate that disrupted function of the

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