2-Methoxy-4-methylphenol - ≥98%(GC) , CAS No.93-51-6

CAS: 93-51-6 Cat. No.: M158094 Fórmula: C₈H₁₀O₂ Peso molecular: 138.17 Número CE: 202-252-9

GRADE & PURITY ≥98%(GC)

Synonyms

2-Methoxy-4-Methylphenol--d3,OD | CHEBI:89886 | 2-Methoxy-4-methylphenol, >=98% | 4-Hydroxy-3-methoxy-1-methylbenzene | 4-Methyl guaiacol | 2-METHOXY-P- CRESOL | 3-Methoxy-4-hydroxytoluene | Q-100894 | 2-Methoxy-4-methylphenol (creosol) | FEMA 2671 | Homo

Storage

Room temperature

Shipped In

Normal

Visão geral

It is the major component of black-ripe table olive aroma. It is the major anti-inflammatory compound in bamboo vinegar. Kinetics of reaction of 2-methoxy-4-methylphenol with chlorine atoms was studied.
It was used in preparation of renewable bis(cyanate) esters.

Specifications

Sinónimos

2-Methoxy-4-Methylphenol--d3,OD | CHEBI:89886 | 2-Methoxy-4-methylphenol, >=98% | 4-Hydroxy-3-methoxy-1-methylbenzene | 4-Methyl guaiacol | 2-METHOXY-P- CRESOL | 3-Methoxy-4-hydroxytoluene | Q-100894 | 2-Methoxy-4-methylphenol (creosol) | FEMA 2671 | Homo

Especificações e pureza

≥98%(GC)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Tipo de ação

INHIBITOR

Pureza

≥98%(GC)

Nomes e identificadores

• Pubchem Sid: 488180311
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180311
• Sorrisos canónicos: CC1=CC(=C(C=C1)O)OC
• IUPAC Name: 2-methoxy-4-methylphenol
• InChIKey: PETRWTHZSKVLRE-UHFFFAOYSA-N
• INCHI: 1S/C8H10O2/c1-6-3-4-7(9)8(5-6)10-2/h3-5,9H,1-2H3
• SMILES isoméricas: CC1=CC(=C(C=C1)O)OC
• WGK Alemanha: 3
• RTECS: GP1755000
• Peso molecular: 138.17
• Reaxy-Rn: 1862340
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1862340&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenols
• Subclass: Methoxyphenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Methoxyphenols
• Alternative Parents: Phenoxy compounds Para cresols Methoxybenzenes Anisoles Toluenes Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Methoxyphenol - Phenoxy compound - Methoxybenzene - Phenol ether - P-cresol - Anisole - 1-hydroxy-2-unsubstituted benzenoid - Toluene - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Descrição: 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: 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

Propriedades químicas e físicas

• Solubilidade: Slightly soluble in water.
• Índice de refração: 1.54
• Ponto de inflamação (°F): 210.2 °F
• Ponto de inflamação (°C): 99°C(lit.)
• Ponto de ebulição (°C): 221°C(lit.)
• Ponto de fusão (°C): 5°C(lit.)
• Peso molecular: 138.160 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 138.068 Da
• Monoisotopic Mass: 138.068 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 103.000
• 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