Metil-hidroquinona - ≥99% , CAS No.95-71-6

CAS: 95-71-6 Cat. No.: M109541 Fórmula: C₇H₈O₂ Peso molecular: 124.14 Beilstein Registry Number: 2041489 Número CE: 202-443-7

GRAU & PUREZA ≥99%

Synonyms

2-Methyl-benzene-1,4-diol|2-methylbenzene-1,4-diol|2-methylhydroquinol|2-Methyl-1,4-hydroquinone|Hydroquinone, tolyl-|Methylhydroquinone|1,4-Benzenediol, 2-methyl-|2-Methylhydroquinone|3-methyl-1,4-dihydroxybenzene|METHYL HYDROQUINONE|Methyl-p-hydroquinone|Pyrolin|4-hydroxy-2-methylphenol|3-metyl-1,4-dihydroxy benzene|Hydroquinone, methyl-|2-Methylbenzene-1,4-diole|monomethylhydroquinone|2-methyl hydroquinone|p-Toluhydroquinone|Toluhydroquinone|3-methyl-4-hydroxyphenol|2,5-DHTOP|Tolylhydroquinone|2,5-Dihydroxytoluene|p-Toluquinol|2,5-Toluenediol|p-Toluhydroquinol|2-Methyl-1,4-benzenediol|monomethyl hydroquinone|methylhydroquinon|2-Methyl-p-hydroquinone|methyl-p-hydroquinol|1,4-Dihydroxy-2-methylbenzene|2-methyl-1,4-dihydroxybenzene|2-methyl-1,4-dihydroxy benzene

Storage

Argon charged,Room temperature

Shipped In

Normal

Visão geral

A metil-hidroquinona é produzida pela oxidação do o-cresol pelos mutantes G103S, G103S/A107G e G103S/A107T.

A metil-hidroquinona pode ser utilizada como reagente para preparar:Um poliéster termotrópico semiflexível através da reação de policondensação com 4,4′-sebacoildioxidibenzoil cloreto；Um sesquiterpeno (±)-helibisabonol A；poly{hexakis[(methyl)(4-hydroxyphenoxy)]cyclotriphosphazene} por reação com hexachlorocyclotriphosphazene；6-Hydroxy-4,7-dimetil-2H-1-benzopiran-2-ona por tratamento com acetoacetato de etilo na presença de H2SO4 como catalisador.

Especificações

Sinónimos

2-Methyl-benzene-1,4-diol | 2-methylbenzene-1,4-diol | 2-methylhydroquinol | 2-Methyl-1,4-hydroquinone | Hydroquinone, tolyl- | Methylhydroquinone | 1,4-Benzenediol, 2-methyl- | 2-Methylhydroquinone | 3-methyl-1,4-dihydroxybenzene | METHYL HYDROQUINONE | Methyl-p-hydroquinone | Pyrolin | 4-hydroxy-2-methylphenol | 3-metyl-1,4-dihydroxy be Show more

Especificações e pureza

≥99%

Mecanismos bioquímicos e fisiológicos

A metil-hidroquinona (toluquinol) inibe o crescimento de células endoteliais e tumorais em cultura na gama micromolar e é um candidato a medicamento promissor no tratamento do cancro e de outras patologias relacionadas com a angiogénese

Condições de armazenamento de armazenamento

Argon charged,Room temperature

Enviado em

Normal

Pureza

≥99%

Nomes e identificadores

Pubchem Sid

488180357

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180357

Sorrisos canónicos

CC1=C(C=CC(=C1)O)O

IUPAC Name

2-methylbenzene-1,4-diol

InChIKey

CNHDIAIOKMXOLK-UHFFFAOYSA-N

INCHI

1S/C7H8O2/c1-5-4-6(8)2-3-7(5)9/h2-4,8-9H,1H3

SMILES isoméricas

CC1=C(C=CC(=C1)O)O

WGK Alemanha

2

RTECS

MX6700000

Peso molecular

124.14

Beilstein

2041489

Reaxy-Rn

2041489

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2041489&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenols
      • Subclass Benzenediols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenols
• Subclass: Benzenediols
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroquinones
• Alternative Parents: Ortho cresols Meta cresols Toluenes 1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: O-cresol - M-cresol - Hydroquinone - 1-hydroxy-2-unsubstituted benzenoid - Toluene - Monocyclic benzene moiety - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Descrição: 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

Alvos associados (humanos)

OVCAR-8 (47708 Activities)

Explore this target

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

A2780 (11979 Activities)

Explore this target

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

Alvos associados (não humanos)

Artemia salina (1320 Activities)

Explore this target

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

Pseudomonas aeruginosa (123386 Activities)

Explore this target

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

Micrococcus luteus (7463 Activities)

Explore this target

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

Escherichia coli (133304 Activities)

Explore this target

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

Bacillus subtilis (32866 Activities)

Explore this target

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

Plasmodium falciparum (966862 Activities)

Explore this target

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

Candida albicans (78123 Activities)

Explore this target

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

Mecanismos de ação

Propriedades químicas e físicas

• Sensibilidade: air sensitive
• Ponto de inflamação (°F): 341.6 °F
• Ponto de inflamação (°C): 172℃
• Ponto de ebulição (°C): 284-286℃
• Ponto de fusão (°C): 126 °C
• Peso molecular: 124.140 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 124.052 Da
• Monoisotopic Mass: 124.052 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 92.900
• 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