Poly(2,6-dimethyl-1,4-phenylene oxide) - Mw 40000-50000 , CAS No.25134-01-4

CAS: 25134-01-4 Cat. No.: P476429 EC Number: 607-561-6

GRADE & PURITY Mw 40000-50000

Synonyms

J-525163 | NCGC00091680-01 | 2,6-Xylenol, 8CI | NCGC00091680-03 | Vic-m-xylenol | Z104473832 | 2,6-Dimethylphenol,(S) | A806014 | Q-200216 | 2,6-Dimethylphenol 100 microg/mL in Methanol | UNII-I8N0RO87OV | 2,6 Dimethylphenol | 2,6-DIMETHYLPHENOL | 2,6-di-

Storage

Room temperature

Overview

Poly(2,6-dimethyl-1,4-phenylene oxide) (PPO) is an anion exchange membrane (AEM) material that is mainly used as a cross-linker in which the methyl groups are used to bond with ultraviolet (UV) excited ketones.Imidazolium modified PPO with liquid ionic graphene oxide can be used as an anion exchange membrane (AEM) composite with a peak power density of 136 mW cm−2for use in the fabrication of high performance fuel cells. It may also be sulfonated to form a long chained polymeric structure with an efficiency of 81.8% at a current density of 120 mA cm−2for potentiall use in vanadium redox flow batteries (VRFBs) as effective energy storage systems. It may also be used in the formation of AEMs, which can be used in the development of microbial desalination cell system (MDCS).

Specifications

Synonyms

J-525163 | NCGC00091680-01 | 2, 6-Xylenol, 8CI | NCGC00091680-03 | Vic-m-xylenol | Z104473832 | 2, 6-Dimethylphenol, (S) | A806014 | Q-200216 | 2, 6-Dimethylphenol 100 microg/mL in Methanol | UNII-I8N0RO87OV | 2, 6 Dimethylphenol | 2, 6-DIMETHYLPHENOL | 2, 6-di-

Specifications & Purity

Mw 40000-50000

Storage

Room temperature

Names and Identifiers

• Canonical Smiles: CC1=C(C(=CC=C1)C)O
• IUPAC Name: 2,6-dimethylphenol
• InChIKey: NXXYKOUNUYWIHA-UHFFFAOYSA-N
• INCHI: 1S/C8H10O/c1-6-4-3-5-7(2)8(6)9/h3-5,9H,1-2H3
• Isomeric SMILES: CC1=C(C(=CC=C1)C)O
• Reaxy-Rn: 1446677
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1446677&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenols
      • Subclass Cresols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenols
• Subclass: Cresols
• Intermediate Tree Nodes: Not available
• Direct Parent: Ortho cresols
• Alternative Parents: m-Xylenes 1-hydroxy-4-unsubstituted benzenoids Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: M-xylene - Xylene - O-cresol - 1-hydroxy-4-unsubstituted benzenoid - Monocyclic benzene moiety - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as ortho cresols. These are organic compounds containing an ortho-cresol moiety, which consists of a benzene bearing one hydroxyl group at ring positions 1 and 2, respectively.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

CA2 Tclin Carbonic anhydrase II (17698 Activities)

Discover Target: CA2

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CA1 Tclin Carbonic anhydrase I (13240 Activities)

Discover Target: CA1

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

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APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

Discover Target: APEX1

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Associated Targets(non-human)

Aspergillus niger (16508 Activities)

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Xenopus laevis (337 Activities)

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Mus musculus (284745 Activities)

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L1210 (27553 Activities)

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

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Mechanisms of Action

Chemical and Physical Properties

• Flash Point(°F): Not applicable
• Flash Point(°C): Not applicable
• Molecular Weight: 122.160 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 122.073 Da
• Monoisotopic Mass: 122.073 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 80.600
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Mei Jinfei, Zhao Fengbei, Hou Yumei, Ahmad Sajjad, Cao Yujie, Yang Zheng, Ai Hongqi, Sheng Liangquan.  (2022)  Two novel phosphorus/potassium-degradation bacteria: Bacillus aerophilus SD-1/Bacillus altitudinis SD-3 and their application in two-stage composting of corncob residue.  ARCHIVES OF MICROBIOLOGY,  205  (1): (1-14).  [PMID:36480050] [10.1007/s00203-022-03357-z]

2. Jun He, Lining Yu, Xuebin Huang, Meiling Qi.  (2019)  Triptycene-based stationary phases for gas chromatographic separations of positional isomers.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:31000208] [10.1016/j.chroma.2019.04.018]

3. Yinhui Yang, Meiling Qi, Jinliang Wang.  (2018)  Separation performance of a star-shaped truxene-based stationary phase functionalized with peripheral 3,4-ethylenedioxythiophene moieties for capillary gas chromatography.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:30297233] [10.1016/j.chroma.2018.09.058]

4. Yinhui Yang, Zhengfeng Chang, Xiaohong Yang, Meiling Qi, Jinliang Wang.  (2018)  Selectivity of hexaphenylbenzene-based hydrocarbon stationary phase with propeller-like conformation for aromatic and aliphatic isomers.  ANALYTICA CHIMICA ACTA,      [PMID:29534806] [10.1016/j.aca.2018.01.048]

5. Huilong Guo, Wanting Dai, Ying Miao, Yongzhou Wang, Dong Ma, Wei Xue.  (2018)  Sustained heparin release actuator achieved from thermal and water activated shape memory hydrogels containing main-chain LC units.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2018.02.009]

6. Yan Zhao, Jiajie Zhu, Jian Li, Zhijuan Zhao, Sebastian Ignacio Charchalac Ochoa, Jiangnan Shen, Congjie Gao, Bart Van der Bruggen.  (2018)  Robust Multilayer Graphene–Organic Frameworks for Selective Separation of Monovalent Anions.  ACS Applied Materials & Interfaces,      [PMID:29742347] [10.1021/acsami.8b03839]