4-(Methoxymethyl)phenol - ≥96% , CAS No.5355-17-9

CAS: 5355-17-9 Cat. No.: M170858 Molecular Weight: 138.168 EC Number: 226-334-9

GRADE & PURITY ≥96%

Synonyms

p-(methoxymethyl)phenol | SCHEMBL63724 | SY026430 | UNII-17CJ5983VN | DS-14089 | ETHER,(4-HYDROXYBENZYL),METHYL (TOLUENE,4-HYDROXY,ALPHA-METHOXY) | FT-0717554 | Q27251899 | alpha-Methoxy-p-cresol | 4-Methoxymethylphenol | 4-Methoxymethyl-phenol | MFCD000

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

p-(methoxymethyl)phenol | SCHEMBL63724 | SY026430 | UNII-17CJ5983VN | DS-14089 | ETHER, (4-HYDROXYBENZYL), METHYL (TOLUENE, 4-HYDROXY, ALPHA-METHOXY) | FT-0717554 | Q27251899 | alpha-Methoxy-p-cresol | 4-Methoxymethylphenol | 4-Methoxymethyl-phenol | MFCD000

Specifications & Purity

≥96%

Storage

Room temperature

Shipped In

Normal

Purity

≥96%

Names and Identifiers

• Pubchem Sid: 488185710
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185710
• Canonical Smiles: COCC1=CC=C(C=C1)O
• IUPAC Name: 4-(methoxymethyl)phenol
• InChIKey: AHXXIALEMINDAW-UHFFFAOYSA-N
• INCHI: 1S/C8H10O2/c1-10-6-7-2-4-8(9)5-3-7/h2-5,9H,6H2,1H3
• Isomeric SMILES: COCC1=CC=C(C=C1)O
• Molecular Weight: 138.168
• Reaxy-Rn: 1860267
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1860267&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzylethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzylethers
• Alternative Parents: 1-hydroxy-2-unsubstituted benzenoids Dialkyl ethers Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzylether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - 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 benzylethers. These are aromatic ethers with the general formula ROCR' (R = alkyl, aryl; R'=benzene).
• 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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 138.160 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• 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: 85.300
• 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. Weiqi Mai, Qiaoying Cao, Mingtao Zheng, Yong Xiao, Hang Hu, Yingliang Liu, Yeru Liang.  (2023)  A fast ionic transport copolymeric network for stable quasi-solid lithium metal battery.  Journal of Energy Chemistry,      [PMID:] [10.1016/j.jechem.2023.08.045]

2. Kunpeng Zheng, Juntao Wang, Junyi Chen, Jingye Hao, Zetong Liu, Suli Xing, Jinshui Yang, Dingding Chen.  (2025)  High-strength and debondable UV-curable adhesive based on dual-dynamic network.  POLYMER DEGRADATION AND STABILITY,      [PMID:] [10.1016/j.polymdegradstab.2025.111665]

3. Jingnan Chen, Xianli Fu, Guolong Yang, Wei Liu.  (2025)  Effective extraction of tocopherols from soybean oil deodorizer distillate methyl esters using phenolic deep eutectic solvents.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2025.113913]