2,3,5-trimethyl-2,5-cyclohexadien-1,4-dione - ≥98% , CAS No.935-92-2

CAS: 935-92-2 Cat. No.: T189233 Molecular Weight: 150.17 EC Number: 213-309-2 PubChem CID: 70291

GRADE & PURITY ≥98%

Synonyms

d-Ino | 2,3,5-Trimethyl-p-benzoquinone | AKOS000493633 | guanosine 3',5'-cyclic phosphate | 2,3,5-Trimethylbenzoquinone | 2,3,6-Trimethyl-p-benzoquinone | 2,5-Trimethylbenzoquinone | InChI=1/C9H10O2/c1-5-4-8(10)6(2)7(3)9(5)11/h4H,1-3H | 2,4-dione, 2,3,5-t

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

d-Ino | 2, 3, 5-Trimethyl-p-benzoquinone | AKOS000493633 | guanosine 3', 5'-cyclic phosphate | 2, 3, 5-Trimethylbenzoquinone | 2, 3, 6-Trimethyl-p-benzoquinone | 2, 5-Trimethylbenzoquinone | InChI=1/C9H10O2/c1-5-4-8(10)6(2)7(3)9(5)11/h4H, 1-3H | 2, 4-dione, 2, 3, 5-t

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

• Pubchem Sid: 504754514
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754514
• Canonical Smiles: CC1=CC(=O)C(=C(C1=O)C)C
• IUPAC Name: 2,3,5-trimethylcyclohexa-2,5-diene-1,4-dione
• InChIKey: QIXDHVDGPXBRRD-UHFFFAOYSA-N
• INCHI: 1S/C9H10O2/c1-5-4-8(10)6(2)7(3)9(5)11/h4H,1-3H3
• Isomeric SMILES: CC1=CC(=O)C(=C(C1=O)C)C
• PubChem CID: 70291
• Molecular Weight: 150.17

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Cyclic ketones
            • Level7 Quinones
              • Level8 Benzoquinones
                • Level9 P-benzoquinones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Cyclic ketones - Quinones - Benzoquinones
• Direct Parent: P-benzoquinones
• Alternative Parents: Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: P-benzoquinone - Organic oxide - Hydrocarbon derivative - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as p-benzoquinones. These are benzoquinones where the two C=O groups are attached at the 1- and 4-positions, respectively.
• 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

Associated Targets(Human)

K562 (73714 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solubility (soluble in acetone)
• Flash Point(°C): 77 °C
• Boil Point(°C): 215 °C
• Melt Point(°C): 26 °C
• Molecular Weight: 150.170 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 150.068 Da
• Monoisotopic Mass: 150.068 Da
• Topological Polar Surface Area: 34.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 293.000
• 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

References

1. Xiao Tu, Jiaxin Hu, Jinghao Peng, Qihan Chen, Yangle Zhao, Zemao Gu.  (2025)  Discovery of thymoquinone analogues with high anthelmintic activity against monogenean infections in goldfish (Carassius auratus).  VETERINARY PARASITOLOGY,      [PMID:39837239] [10.1016/j.vetpar.2025.110401]

2. Zilong Xie, Siyi Yu, Jiankun Wu, Xiao Lin, Yanping Liu, Jianzhi Wang, Jie Liu, Faquan Yu.  (2025)  A mild and efficient oxidation of 2,3,6-Trimethylphenol to Trimethyl-1,4-benzoquinone with high-velocity air as an oxidant in a continuous-flow microreactor.  NEW JOURNAL OF CHEMISTRY,      [PMID:] [10.1039/D4NJ05103C]