4-(Ethoxymethyl)phenol - ≥97% , CAS No.57726-26-8

CAS: 57726-26-8 Cat. No.: E194029 Molecular Weight: 152.19 EC Number: 260-918-4

GRADE & PURITY ≥97%

Synonyms

4-(ethoxymethyl)phenol|57726-26-8|4-Ethoxymethylphenol|alpha-Ethoxy-p-cresol|4-Hydroxybenzyl ethyl ether|p-Hydroxybenzyl ethyl ether|Phenol, 4-(ethoxymethyl)-|EINECS 260-918-4|4-(Ethoxymethyl)-Phenol|SCHEMBL62426|CHEMBL3911844|DTXSID20206426|CHEBI:179248|

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

4-(ethoxymethyl)phenol | 57726-26-8 | 4-Ethoxymethylphenol | alpha-Ethoxy-p-cresol | 4-Hydroxybenzyl ethyl ether | p-Hydroxybenzyl ethyl ether | Phenol, 4-(ethoxymethyl)- | EINECS 260-918-4 | 4-(Ethoxymethyl)-Phenol | SCHEMBL62426 | CHEMBL3911844 | DTXSID20206426 | CHEBI:179248 |

Specifications & Purity

≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CCOCC1=CC=C(C=C1)O
• IUPAC Name: 4-(ethoxymethyl)phenol
• InChIKey: UWQZVUQKBWZNLN-UHFFFAOYSA-N
• INCHI: 1S/C9H12O2/c1-2-11-7-8-3-5-9(10)6-4-8/h3-6,10H,2,7H2,1H3
• Isomeric SMILES: CCOCC1=CC=C(C=C1)O
• Molecular Weight: 152.19
• Reaxy-Rn: 2207066
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2207066&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: 152.190 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 152.084 Da
• Monoisotopic Mass: 152.084 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 95.700
• 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