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

CAS: 13184-86-6 Cat. No.: E156219 Molecular Weight: 182.22 EC Number: 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

Argon charged,Room temperature

Shipped In

Normal

Specifications

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

Specifications & Purity

≥98%(GC)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 488183513
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183513
• Canonical Smiles: 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
• Isomeric SMILES: CCOCC1=CC(=C(C=C1)O)OC
• Molecular Weight: 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
    • Class Phenols
      • Subclass Methoxyphenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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

Chemical and Physical Properties

• Sensitivity: air sensitive
• Refractive Index: 1.53
• Flash Point(°C): 120 °C
• Boil Point(°C): 125 °C/4 mmHg
• Molecular Weight: 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

References

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]