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

CAS: 654-42-2 Cat. No.: D155747 Summenformel: C₈H₁₀O₂ Molekulargewicht: 138.17 Beilstein Registry Number: 6(4)5956 EG-Nummer: 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

Synonyme

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

Spezifikationen & Reinheit

≥98%

Storage

Store at -20°C,Argon charged

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 504754408
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754408
• Kanonisches Lächeln: 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
• Isomere SMILES: CC1=CC(=CC(=C1O)C)O
• RTECS: MX5900000
• Molekulargewicht: 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
    • Klasse Phenols
      • Subclass Benzenediols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Zugehörige Ziele (menschlich)

OVCAR-8 (47708 Activities)

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Zugehörige Ziele (nicht menschlich)

Plasmodium falciparum (966862 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in Methanol
• Empfindlichkeit: air sensitive
• Schmelzpunkt (°C): 151-155℃
• Molekulargewicht: 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