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

CAS: 608-43-5 Cat. No.: D155326 Fórmula: C₈H₁₀O₂ Peso molecular: 138.17 Beilstein Registry Number: 6(4)5948 Número EC: 629-372-8

GRADE & PURITY ≥98%(GC)

Synonyms

2,3-dimetil-1,4-bencenodiol | 3,6-dihidroxi-o-xilenos | 1,4-dihidroxi-2,3-dimetilbencenos

Storage

Conservar a 2-8°C,cargado con argón

Shipped In

Hielo húmedo

Descripción general

la 2,3-dimetilhidroquinona es una p-hidroquinona alquílica que puede utilizarse como antioxidante rompedor de cadenas y donante de electrones para intermediarios redox. Actúa como antioxidante debido a su característica de terminar cadenas cinéticas en reacción con radicales peroxídicos.

Aplicación：

la 2,3-dimetilhidroquinona puede utilizarse como antioxidante para la peroxidación lipídica. También se utiliza en la síntesis de benzofurano-5-oles que pueden utilizarse como agentes antifúngicos en aplicaciones biológicas.

Specifications

Sinónimos

2,3-dimetil-1,4-bencenodiol | 3,6-dihidroxi-o-xilenos | 1,4-dihidroxi-2,3-dimetilbencenos

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C,cargado con argón

Enviado en

Hielo húmedo

Pureza

≥98%(GC)

Nombres e identificadores

Pubchem Sid

504754336

Pubchem Sid Url

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

Sonrisas canónicas

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

Isómeros SMILES

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

Peso molecular

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
    • Clase Phenols
      • Subclass Benzenediols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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
• Descripción: 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

Objetivos asociados (humanos)

U-251 (51189 Activities)

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Objetivos asociados (no humanos)

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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Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in Methanol
• Sensibilidad: Air Sensitive
• Punto de fusión (°C): 224°C(dec.)(lit.)
• Peso molecular: 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