5-Methoxyresorcinol - ≥95%(GC) , CAS No.2174-64-3

CAS: 2174-64-3 Cat. No.: M138499 Summenformel: CH₃OC₆H₃-1,3-(OH)₂ Molekulargewicht: 140.14 Beilstein Registry Number: 1423578 EG-Nummer: 218-532-9

GRADE & PURITY ≥95%(GC)

Synonyms

AC-5487 | M1413 | DTXSID9025112 | 5-Methoxyresorcinol | FT-0620576 | InChI=1/C7H8O3/c1-10-7-3-5(8)2-6(9)4-7/h2-4,8-9H,1H | J-014267 | SR-01000944713 | Cellon | Ethene, chlorotrifluoro- | AS-40131 | MONO-O-METHYLPHLOROGLUCINOL | CHEBI:136806 | MFCD00002285

Storage

Protected from light,Room temperature

Shipped In

Normal

Übersicht

Kinetics of the aroxyl radical-scavenging action of 5-methoxyresorcinol has been investigated. The kinetics of reaction of 5,7-diisopropyl-tocopheroxyl radical (Toc) with 5-methoxyresorcinol has been measured by stopped-flow spectrophotometer.

Specifications

Synonyme

AC-5487 | M1413 | DTXSID9025112 | 5-Methoxyresorcinol | FT-0620576 | InChI=1/C7H8O3/c1-10-7-3-5(8)2-6(9)4-7/h2-4,8-9H,1H | J-014267 | SR-01000944713 | Cellon | Ethene, chlorotrifluoro- | AS-40131 | MONO-O-METHYLPHLOROGLUCINOL | CHEBI:136806 | MFCD00002285

Spezifikationen & Reinheit

≥95%(GC)

Storage

Protected from light,Room temperature

Verschickt in

Normal

Reinheit

≥95%(GC)

Namen und Kennungen

• Pubchem Sid: 508810027
• Kanonisches Lächeln: COC1=CC(=CC(=C1)O)O
• IUPAC Name: 5-methoxybenzene-1,3-diol
• InChIKey: HDVRLUFGYQYLFJ-UHFFFAOYSA-N
• INCHI: 1S/C7H8O3/c1-10-7-3-5(8)2-6(9)4-7/h2-4,8-9H,1H3
• Isomere SMILES: COC1=CC(=CC(=C1)O)O
• WGK Deutschland: 3
• Molekulargewicht: 140.14
• Beilstein: 1423578
• Reaxy-Rn: 1423578
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1423578&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Phenols
      • Subclass Methoxyphenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Phenols
• Subclass: Methoxyphenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Methoxyphenols
• Alternative Parents: Resorcinols Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Methoxyphenol - Phenoxy compound - Methoxybenzene - Resorcinol - Phenol ether - Anisole - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as methoxyphenols. These are compounds containing a methoxy group attached to the benzene ring of a phenol moiety.
• External Descriptors: a small molecule

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)

TYR Tclin Tyrosinase (717 Activities)

Discover Target: TYR

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

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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

PMP22 Tbio Peripheral myelin protein 22 (699 Activities)

Discover Target: PMP22

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

Zugehörige Ziele (nicht menschlich)

Plasmodium falciparum (966862 Activities)

Explore this target

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in water.
• Empfindlichkeit: Light sensitive
• Siedepunkt (°C): 213°C/16mmHg
• Schmelzpunkt (°C): 78-80 °C
• Molekulargewicht: 140.140 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 140.047 Da
• Monoisotopic Mass: 140.047 Da
• Topological Polar Surface Area: 49.700 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 95.000
• 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