2,6-Dimethylhydroquinone - ≥98% , CAS No.654-42-2

CAS: 654-42-2 Cat. No.: D155747 Formula: C₈H₁₀O₂ Peso molecolare: 138.17 Beilstein Registry Number: 6(4)5956 Numero EC: 211-505-2

GRADE & PURITY ≥98%

Synonyms

1.4-Dihydroxy-2,6-dimethylbenzene | InChI=1/C8H10O2/c1-5-3-7(9)4-6(2)8(5)10/h3-4,9-10H,1-2H | CHEBI:179263 | DS-1948 | NSC36868 | MXHQ | m-Xhq | 1, 2,6-dimethyl- | A835117 | DMHQ | 1,4-Dihydroxy-2,6-dimethylbenzene | Hydroquinone,6-dimethyl- | 2,6-Dimethy

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Sinonimi

1.4-Dihydroxy-2,6-dimethylbenzene | InChI=1/C8H10O2/c1-5-3-7(9)4-6(2)8(5)10/h3-4,9-10H,1-2H | CHEBI:179263 | DS-1948 | NSC36868 | MXHQ | m-Xhq | 1, 2,6-dimethyl- | A835117 | DMHQ | 1,4-Dihydroxy-2,6-dimethylbenzene | Hydroquinone,6-dimethyl- | 2,6-Dimethy

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at -20°C,Argon charged

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 504754408
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754408
• Sorrisi canonici: CC1=CC(=CC(=C1O)C)O
• IUPAC Name: 2,6-dimethylbenzene-1,4-diol
• InChIKey: SGWZVZZVXOJRAQ-UHFFFAOYSA-N
• INCHI: 1S/C8H10O2/c1-5-3-7(9)4-6(2)8(5)10/h3-4,9-10H,1-2H3
• Isomeri SMILES: CC1=CC(=CC(=C1O)C)O
• RTECS: MX5900000
• Peso molecolare: 138.17
• Beilstein: 6(4)5956
• Reaxy-Rn: 1862397
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1862397&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenols
• Subclass: Benzenediols
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroquinones
• Alternative Parents: m-Xylenes Ortho cresols Meta cresols 1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: M-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
• Descrizione: 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

Obiettivi associati (umani)

OVCAR-8 (47708 Activities)

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

Obiettivi associati (non umani)

Plasmodium falciparum (966862 Activities)

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Soluble in Methanol
• Sensibilità: air sensitive
• Punto di fusione (°C): 151-155℃
• Peso molecolare: 138.160 g/mol
• XLogP3: 1.000
• 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: 102.000
• 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

Riferimenti

1. Jingkai Liu, Liyue Zhang, Xinbei Zhu, Qing Chen, Kan Zhang, Xiaoqing Liu.  (2023)  Design of a Low-Temperature Ring-Opening Benzoxazine System Using a Supramolecular Hydrogen-Bond Structure.  ACS Applied Polymer Materials,      [PMID:] [10.1021/acsapm.3c01107]