4-(Ethoxymethyl)-2-methoxyphenol - ≥98%(GC) , CAS No.13184-86-6

CAS: 13184-86-6 Cat. No.: E156219 Formule: C₁₀H₁₄O₃ Poids moléculaire: 182.22 Numéro CE: 236-136-4

GRADE & PURITY ≥98%(GC)

Synonyms

4-(Ethoxymethyl)-2-methoxyphenol, 9CI | 4-HYDROXY-3-METHOXYBENZYL ETHYL ETHER | A888360 | VANILLYL ETHYL ETHER [FHFI] | Ethyl vanillyl ether | SCHEMBL118289 | E1028 | AKOS006293103 | AS-19910 | Vanillyl ethyl ether, natural (US), >=98%, FG | P-CRESOL, .AL

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonymes

4-(Ethoxymethyl)-2-methoxyphenol, 9CI | 4-HYDROXY-3-METHOXYBENZYL ETHYL ETHER | A888360 | VANILLYL ETHYL ETHER [FHFI] | Ethyl vanillyl ether | SCHEMBL118289 | E1028 | AKOS006293103 | AS-19910 | Vanillyl ethyl ether, natural (US), >=98%, FG | P-CRESOL, .AL

Spécifications et pureté

≥98%(GC)

Conditions de stockage de stockage

Room temperature,Argon charged

Expédié en

Normal

Pureté

≥98%(GC)

Noms et identifiants

• Pubchem Sid: 488183513
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183513
• Sourires canoniques: CCOCC1=CC(=C(C=C1)O)OC
• IUPAC Name: 4-(ethoxymethyl)-2-methoxyphenol
• InChIKey: KOCVACNWDMSLBM-UHFFFAOYSA-N
• INCHI: 1S/C10H14O3/c1-3-13-7-8-4-5-9(11)10(6-8)12-2/h4-6,11H,3,7H2,1-2H3
• Isomères SMILES: CCOCC1=CC(=C(C=C1)O)OC
• Poids moléculaire: 182.22
• Reaxy-Rn: 2211069
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2211069&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: Benzylethers Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Dialkyl ethers Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Methoxyphenol - Benzylether - Phenoxy compound - Methoxybenzene - Phenol ether - Anisole - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Dialkyl 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

• Sensibilité: air sensitive
• Indice de réfraction: 1.53
• Point d'éclair (°C): 120 °C
• Point d'ébullition (°C): 125 °C/4 mmHg
• Poids moléculaire: 182.220 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 182.094 Da
• Monoisotopic Mass: 182.094 Da
• Topological Polar Surface Area: 38.700 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 138.000
• 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

Références

1. Qunfeng Chen, Daobin Tang, Qi Zhang, Zhiyuan Tang, Longlong Ma, Xinghua Zhang.  (2025)  Electron-metal support interactions enhanced by W-O-Zr interface in Pd-UiO-66 catalyst for efficient HDO of lignin derivatives at room temperature.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2025.163903]