2,2,4-trimethyl-1H-quinolin-6-ol - ≥97% , CAS No.72107-05-2

CAS: 72107-05-2 Cat. No.: T638350 Molecular Weight: 189.25 EC Number: 664-105-9 PubChem CID: 599799

GRADE & PURITY ≥97%

Synonyms

STK788955 | Ethoxyquin-desethyl | SR-01000493224-1 | SY281547 | AKOS000270109 | 2,2,4-Trimethyl-1,2-dihydro-6-quinolinol | 2,2,4-Trimethyl-1,2-dihydro-6-quinolinol # | E73648 | SB68525 | SCHEMBL4375848 | 6-hydroxy-1,2-dihydro-2,2,4-trimethylquinoline | Op

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

STK788955 | Ethoxyquin-desethyl | SR-01000493224-1 | SY281547 | AKOS000270109 | 2, 2, 4-Trimethyl-1, 2-dihydro-6-quinolinol | 2, 2, 4-Trimethyl-1, 2-dihydro-6-quinolinol # | E73648 | SB68525 | SCHEMBL4375848 | 6-hydroxy-1, 2-dihydro-2, 2, 4-trimethylquinoline | Op

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC1=CC(NC2=C1C=C(C=C2)O)(C)C
• IUPAC Name: 2,2,4-trimethyl-1H-quinolin-6-ol
• InChIKey: QSINDHMECZQCAW-UHFFFAOYSA-N
• INCHI: 1S/C12H15NO/c1-8-7-12(2,3)13-11-5-4-9(14)6-10(8)11/h4-7,13-14H,1-3H3
• Isomeric SMILES: CC1=CC(NC2=C1C=C(C=C2)O)(C)C
• Alternate CAS: 72107-05-2
• PubChem CID: 599799
• Molecular Weight: 189.25

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Quinolines and derivatives
      • Subclass Quinolones and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: Quinolones and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroquinolones
• Alternative Parents: Hydroquinolines Secondary alkylarylamines 1-hydroxy-2-unsubstituted benzenoids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dihydroquinolone - Dihydroquinoline - 1-hydroxy-2-unsubstituted benzenoid - Secondary aliphatic/aromatic amine - Benzenoid - Azacycle - Secondary amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as hydroquinolones. These are compounds containing a hydrogenated quinoline bearing a ketone group.
• 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(non-human)

Trypanosoma brucei rhodesiense (7991 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

• Molecular Weight: 189.250 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 189.115 Da
• Monoisotopic Mass: 189.115 Da
• Topological Polar Surface Area: 32.299 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 257.000
• 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. Feng He, Yang Liu, Shiyi Dai, Maozhong Sun, Liqiang Liu, Liguang Xu, Hua Kuang, Chuanlai Xu, Xinxin Xu.  (2025)  Lateral flow immunochromatographic assay based on computational chemistry-assisted hapten screening for the detection of ethoxyquin in food samples.  FOOD CHEMISTRY,      [PMID:40187320] [10.1016/j.foodchem.2025.144142]