2-Metilresorcinol - ≥98%(GC) , CAS No.608-25-3

CAS: 608-25-3 Cat. No.: M133940 Fórmula: C₇H₈O₂ Peso molecular: 124.14 Beilstein Registry Number: 6878 Número CE: 210-155-8

GRAU & PUREZA ≥98%(GC)

Synonyms

DTXSID0025571 | ORISTAR MR | Resorcinol, 2-methyl- | DTXCID005571 | M1109 | 2,6-Dihydroxytoluene | 2,6-Dihydroxy-toluene | 2-METHYLRESORCINOL [INCI] | 2-Methylresorcin | 2-Methylresorcinol, technical grade, 90% | M-4340 | AI3-61050 | EINECS 210-155-8 | ME

Storage

Room temperature

Shipped In

Normal

Visão geral

A reação entre o 2-metilresorcinol e os 2-alcenos foi estudada para investigar a capacidade de eliminação dos m-difenóis para os 2-alcenos formados durante a oxidação lipídica.
o 2-metilresorcinol foi utilizado na síntese de: C-5-bromo-2-hidroxifenilcalix[4]-2-metilresorcinareno; análogos de tripiranos; série de novas benziporfirinas aromáticas.

Especificações

Sinónimos

DTXSID0025571 | ORISTAR MR | Resorcinol, 2-methyl- | DTXCID005571 | M1109 | 2,6-Dihydroxytoluene | 2,6-Dihydroxy-toluene | 2-METHYLRESORCINOL [INCI] | 2-Methylresorcin | 2-Methylresorcinol, technical grade, 90% | M-4340 | AI3-61050 | EINECS 210-155-8 | ME

Especificações e pureza

≥98%(GC)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%(GC)

Nomes e identificadores

Pubchem Sid

488181447

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181447

Sorrisos canónicos

CC1=C(C=CC=C1O)O

IUPAC Name

2-methylbenzene-1,3-diol

InChIKey

ZTMADXFOCUXMJE-UHFFFAOYSA-N

INCHI

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

SMILES isoméricas

CC1=C(C=CC=C1O)O

WGK Alemanha

3

RTECS

VH2009500

Número UN

2811

Grupo de embalagem

III

Peso molecular

124.14

Beilstein

6878

Reaxy-Rn

2042177

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2042177&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: Resorcinols
• Alternative Parents: Ortho cresols Toluenes 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Resorcinol - O-cresol - 1-hydroxy-4-unsubstituted benzenoid - 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 resorcinols. These are compounds containing a resorcinol moiety, which is a benzene ring bearing two hydroxyl groups at positions 1 and 3.
• 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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in water (140 mg/ml at 20 °C), and methanol.
• Ponto de inflamação (°F): 275 °F
• Ponto de inflamação (°C): 135 °C
• Ponto de ebulição (°C): 264 °C (lit.)
• Ponto de fusão (°C): 119-123°C
• Peso molecular: 124.140 g/mol
• XLogP3: 1.600
• 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: 82.900
• 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