2,3-Dimethylhydroquinone - ≥98%(GC) , CAS No.608-43-5

CAS: 608-43-5 Cat. No.: D155326 분자식: C₈H₁₀O₂ 분자량: 138.17 Beilstein Registry Number: 6(4)5948 EC 번호: 629-372-8

등급 & 순도 ≥98%(GC)

Synonyms

2,3-Dimethyl-1,4-benzenediol|3,6-Dihydroxy-o-xylene|1,4-Dihydroxy-2,3-dimethylbenzene

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

개요

2,3-Dimethylhydroquinone is an alkyl p-hydroquinone that can be used as a chain breaking antioxidant and an electron donor for redox intermediates. It acts as an antioxidant due to its characteristic to terminate kinetic chains on reaction with peroxy radicals.

Application：

2,3-Dimethylhydroquinone can be used as an antioxidant for lipid peroxidation. It is also used in the synthesis of benzofuran-5-ols which can further be utilized as antifungal agents in biological applications.

사양

동의어

2,3-Dimethyl-1,4-benzenediol | 3,6-Dihydroxy-o-xylene | 1,4-Dihydroxy-2,3-dimethylbenzene

사양 및 순도

≥98%(GC)

보관 조건

Store at 2-8°C,Argon charged

배송

Wet ice

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순수함

≥98%(GC)

이름과 식별자

Pubchem Sid

504754336

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504754336

정식 스마일

CC1=C(C=CC(=C1C)O)O

IUPAC Name

2,3-dimethylbenzene-1,4-diol

InChIKey

BXJGUBZTZWCMEX-UHFFFAOYSA-N

INCHI

1S/C8H10O2/c1-5-6(2)8(10)4-3-7(5)9/h3-4,9-10H,1-2H3

이성체 SMILES

CC1=C(C=CC(=C1C)O)O

분자량

138.17

Beilstein

6(4)5948

Reaxy-Rn

636976

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=636976&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Phenols
      • Subclass Benzenediols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Phenols
• Subclass: Benzenediols
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroquinones
• Alternative Parents: o-Xylenes Ortho cresols Meta cresols 1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: O-xylene - Xylene - O-cresol - M-cresol - Hydroquinone - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as hydroquinones. These are compounds containing a hydroquinone moiety, which consists of a benzene ring with a hydroxyl groups at positions 1 and 4.
• 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

관련 대상(인간)

U-251 (51189 Activities)

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관련 대상(비인간)

Aspergillus flavus (8875 Activities)

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Aspergillus niger (16508 Activities)

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Pichia kudriavzevii (7448 Activities)

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Cryptococcus neoformans (21258 Activities)

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Candida albicans (78123 Activities)

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Candida tropicalis (8381 Activities)

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작용 메커니즘

화학 및 물리적 특성

• 용해성: Soluble in Methanol
• 감도: Air Sensitive
• 녹는점(°C): 224°C(dec.)(lit.)
• 분자량: 138.160 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 138.068 Da
• Monoisotopic Mass: 138.068 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 99.800
• 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