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

CAS: 93-51-6 Cat. No.: M158094 Formule: C₈H₁₀O₂ Poids moléculaire: 138.17 Numéro 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

Vue d’ensemble

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

Synonymes

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

Spécifications et pureté

≥98%(GC)

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Type d'action

INHIBITOR

Pureté

≥98%(GC)

Noms et identifiants

Pubchem Sid

488180311

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180311

Sourires canoniques

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

Isomères SMILES

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

WGK Allemagne

3

RTECS

GP1755000

Poids moléculaire

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
• Description: 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

Propriétés chimiques et physiques

• Solubilité: Slightly soluble in water.
• Indice de réfraction: 1.54
• Point d'éclair (°F): 210.2 °F
• Point d'éclair (°C): 99°C(lit.)
• Point d'ébullition (°C): 221°C(lit.)
• Point de fusion (°C): 5°C(lit.)
• Poids moléculaire: 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