Methoxyhydroquinone - ≥97%(GC) , CAS No.824-46-4

CAS: 824-46-4 Cat. No.: M136895 Molecular Weight: 140.14 EC Number: 212-530-1

GRADE & PURITY ≥97%(GC)

Synonyms

Methoxyhydroquinone | METHOXYHYDROQUINONE, O- | CHEBI:176649 | M0539 | EINECS 212-530-1 | UNII-2HI6HNR5U1 | 1,4-Dihydroxy-2-methoxybenzene | SCHEMBL62784 | DTXSID00231716 | BDBM50297425 | InChI=1/C7H8O3/c1-10-7-4-5(8)2-3-6(7)9/h2-4,8-9H,1H | 2-MOHYDROP |

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

Methoxyhydroquinone | METHOXYHYDROQUINONE, O- | CHEBI:176649 | M0539 | EINECS 212-530-1 | UNII-2HI6HNR5U1 | 1, 4-Dihydroxy-2-methoxybenzene | SCHEMBL62784 | DTXSID00231716 | BDBM50297425 | InChI=1/C7H8O3/c1-10-7-4-5(8)2-3-6(7)9/h2-4, 8-9H, 1H | 2-MOHYDROP |

Specifications & Purity

≥97%(GC)

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%(GC)

Names and Identifiers

• Pubchem Sid: 504754473
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754473
• Canonical Smiles: COC1=C(C=CC(=C1)O)O
• IUPAC Name: 2-methoxybenzene-1,4-diol
• InChIKey: LAQYHRQFABOIFD-UHFFFAOYSA-N
• INCHI: 1S/C7H8O3/c1-10-7-4-5(8)2-3-6(7)9/h2-4,8-9H,1H3
• Isomeric SMILES: COC1=C(C=CC(=C1)O)O
• Molecular Weight: 140.14
• Reaxy-Rn: 2045285
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2045285&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenols
• Subclass: Methoxyphenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Methoxyphenols
• Alternative Parents: Phenoxy compounds Methoxybenzenes Hydroquinones Anisoles Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Methoxyphenol - Phenoxy compound - Methoxybenzene - Phenol ether - Hydroquinone - Anisole - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as methoxyphenols. These are compounds containing a methoxy group attached to the benzene ring of a phenol moiety.
• 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)

MAOB Tclin Monoamine oxidase B (8835 Activities)

Discover Target: MAOB

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

A-375 (9258 Activities)

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SK-MEL-2 (46422 Activities)

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A549 (127892 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: Slightly soluble in water. Solubility in methanol is almost transparent.
• Sensitivity: air sensitive
• Boil Point(°C): 180°C/24mmHg
• Melt Point(°C): 89 °C
• Molecular Weight: 140.140 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 140.047 Da
• Monoisotopic Mass: 140.047 Da
• Topological Polar Surface Area: 49.700 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 105.000
• 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. Tiandu Dong, Zetian Zhang, Hao Liu, Yingjiao Deng, Weixia Liu, Yunxi Li, Yichen Liu, Mingzheng Zhou, Zihan Meng, Haolin Tang.  (2023)  Phosphorylated poly(ethylene-co-vinyl alcohol) doping for enhanced proton conductivity and mechanical properties of side chain–type sulfonated poly(aryl ether ketone) proton-exchange membranes.  JOURNAL OF MEMBRANE SCIENCE,      [PMID:] [10.1016/j.memsci.2023.122298]

2. Ximin Chen, Long Jiang, Yaojie Liu, Lulu Zhang, Debin Yang, Xiaomeng Su, Zongjiang Yu, Mo Xian, Chao Xu.  (2023)  Theoretical calculation guided molecularly imprinted polymer for selective adsorption of phloroglucinol.  Journal of Environmental Chemical Engineering,      [PMID:] [10.1016/j.jece.2023.110229]

3. Zhe-Hui Zhang, Xianyuan Wu, Xiaohong Ren, Zeming Rong, Zhuohua Sun, Katalin Barta, Tong-Qi Yuan.  (2023)  High yield production of 1,4-cyclohexanediol from lignin derived 2,6-dimethoxybenzoquinone via Raney NiMn catalyst in hydrogen free conditions.  Journal of Energy Chemistry,      [PMID:] [10.1016/j.jechem.2023.04.023]

4. Bin Shen, Balakondareddy Sana, Hongting Pu.  (2020)  Multi-block poly(ether sulfone) for anion exchange membranes with long side chains densely terminated by piperidinium.  JOURNAL OF MEMBRANE SCIENCE,      [PMID:] [10.1016/j.memsci.2020.118537]

5. Xiu Qin Wang, Chen Xiao Lin, Qiu Gen Zhang, Ai Mei Zhu, Qing Lin Liu.  (2017)  Anion exchange membranes from hydroxyl-bearing poly(ether sulfone)s with flexible spacers via ring-opening grafting for fuel cells.  INTERNATIONAL JOURNAL OF HYDROGEN ENERGY,      [PMID:] [10.1016/j.ijhydene.2017.06.186]

6. Yue Yao, Hanqi Qian, Dan Qi, Jinrui Bai, Chao Liu.  (2024)  Novel insights into the correlation composition-structure-property of recyclable carbon fiber reinforced thermosetting resin composites.  POLYMER DEGRADATION AND STABILITY,      [PMID:] [10.1016/j.polymdegradstab.2024.111023]