2,3-Dimethoxy-5-methylbenzene-1,4-diol - ≥98% , CAS No.3066-90-8

CAS: 3066-90-8 Cat. No.: D725663 Molecular Weight: 184.19 EC Number: 676-140-7

GRADE & PURITY ≥98%

Synonyms

1,4-DIHYDROXY-2,3-DIMETHOXY-5-METHYLBENZENE | 23-DIMETHOXY-5-METHYLHYDROQUINONE | 2,3-Dimethoxy-5-methyl-1,4-hydroquinone | 2,3-Dimethoxy-5-methyl-1,4-benzenediol | 2,3-Dimethoxy-6-methylhydroquinone | Ubiquinol0 | UbiquinolQ0 | 2,3-DIMETHOXY-5-METHYL-BEN

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

1, 4-DIHYDROXY-2, 3-DIMETHOXY-5-METHYLBENZENE | 23-DIMETHOXY-5-METHYLHYDROQUINONE | 2, 3-Dimethoxy-5-methyl-1, 4-hydroquinone | 2, 3-Dimethoxy-5-methyl-1, 4-benzenediol | 2, 3-Dimethoxy-6-methylhydroquinone | Ubiquinol0 | UbiquinolQ0 | 2, 3-DIMETHOXY-5-METHYL-BEN

Specifications & Purity

≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC1=CC(=C(C(=C1O)OC)OC)O
• IUPAC Name: 2,3-dimethoxy-5-methylbenzene-1,4-diol
• InChIKey: DSBZYDDWLLIJJS-UHFFFAOYSA-N
• INCHI: 1S/C9H12O4/c1-5-4-6(10)8(12-2)9(13-3)7(5)11/h4,10-11H,1-3H3
• Isomeric SMILES: CC1=CC(=C(C(=C1O)OC)OC)O
• Molecular Weight: 184.19

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Prenol lipids
      • Subclass Quinone and hydroquinone lipids
        • Level5 Prenylated hydroquinones
          • Level6 Ubiquinols

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Prenol lipids
• Subclass: Quinone and hydroquinone lipids
• Intermediate Tree Nodes: Prenylated hydroquinones
• Direct Parent: Ubiquinols
• Alternative Parents: Methoxyphenols Dimethoxybenzenes Phenoxy compounds Ortho cresols Meta cresols Hydroquinones Anisoles Toluenes Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Ubiquinol skeleton - Methoxyphenol - Dimethoxybenzene - O-dimethoxybenzene - Anisole - Hydroquinone - M-cresol - Phenoxy compound - O-cresol - Phenol ether - Methoxybenzene - Alkyl aryl ether - Phenol - Toluene - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Benzenoid - Ether - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as ubiquinols. These are coenzyme Q derivatives containing a 5, 6-dimethoxy-3-methylbenzene-1,4-diol moiety to which an isoprenyl group is attached at ring position 2(or 6).
• External Descriptors: ubiquinol

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

Chemical and Physical Properties

• Molecular Weight: 184.190 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 184.074 Da
• Monoisotopic Mass: 184.074 Da
• Topological Polar Surface Area: 58.900 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 162.000
• 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