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

CAS: 93-51-6 Cat. No.: M158094 Peso molecular: 138.17 Número EC: 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

Descripción general

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

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Tipo de acción

INHIBITOR

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 488180311
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180311
• Sonrisas canónicas: 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
• Isómeros SMILES: CC1=CC(=C(C=C1)O)OC
• WGK Alemania: 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
    • Clase Phenols
      • Subclass Methoxyphenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Slightly soluble in water.
• Índice de refracción: 1.54
• Punto de inflamación (°F): 210.2 °F
• Punto de inflamación (°C): 99°C(lit.)
• Punto de ebullición (°C): 221°C(lit.)
• Punto de fusión (°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

Referencias

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