4-Ethoxyphenol - ≥99% , CAS No.622-62-8

CAS: 622-62-8 Cat. No.: E124314 Formula: C₈H₁₀O₂ Molecular Weight: 138.16 Beilstein Registry Number: 1907114 EC Number: 210-748-1

GRADE & PURITY ≥99%

Synonyms

EN300-17907 | HYDROQUINONE MONOETHYL ETHER [FHFI] | NSC 9885 | Z57073756 | 4-Ethoxyphenol, analytical standard | 4-Hydroxyphenetole | FT-0618388 | InChI=1/C8H10O2/c1-2-10-8-5-3-7(9)4-6-8/h3-6,9H,2H2,1H | p-ethoxylphenol | p-Hydroxyphenetole | A833686 | BR

Storage

Room temperature,Argon charged

Shipped In

Normal

Overview

4-Ethoxyphenol is the major dehalogenated product formed during H2O2-driven microperoxidase-8-catalyzed dehalogenation of 4-fluorophenol

Specifications

Synonyms

EN300-17907 | HYDROQUINONE MONOETHYL ETHER [FHFI] | NSC 9885 | Z57073756 | 4-Ethoxyphenol, analytical standard | 4-Hydroxyphenetole | FT-0618388 | InChI=1/C8H10O2/c1-2-10-8-5-3-7(9)4-6-8/h3-6,9H,2H2,1H | p-ethoxylphenol | p-Hydroxyphenetole | A833686 | BR

Specifications & Purity

≥99%

Storage

Room temperature,Argon charged

Shipped In

Normal

Action Type

INHIBITOR

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 488181565
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181565
• Canonical Smiles: CCOC1=CC=C(C=C1)O
• IUPAC Name: 4-ethoxyphenol
• InChIKey: LKVFCSWBKOVHAH-UHFFFAOYSA-N
• INCHI: 1S/C8H10O2/c1-2-10-8-5-3-7(9)4-6-8/h3-6,9H,2H2,1H3
• Isomeric SMILES: CCOC1=CC=C(C=C1)O
• WGK Germany: 3
• RTECS: SL3790000
• Molecular Weight: 138.16
• Beilstein: 1907114
• Reaxy-Rn: 1907114
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1907114&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenols
      • Subclass 4-alkoxyphenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenols
• Subclass: 4-alkoxyphenols
• Intermediate Tree Nodes: Not available
• Direct Parent: 4-alkoxyphenols
• Alternative Parents: Phenoxy compounds Phenol ethers Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 4-alkoxyphenol - Phenoxy compound - Phenol ether - 1-hydroxy-2-unsubstituted benzenoid - 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 4-alkoxyphenols. These are phenols that carry an alkoxy group at the 4-position of the benzene ring.
• 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

Associated Targets(Human)

TYR Tclin Tyrosinase (717 Activities)

Discover Target: TYR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MCF7 (126967 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Trichoplusia ni (986 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

L1210 (27553 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solubility in Methanol almost transparency
• Sensitivity: air sensitive
• Boil Point(°C): 121°C/9mmHg
• Melt Point(°C): 65°C
• Molecular Weight: 138.160 g/mol
• XLogP3: 1.800
• 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. Longwei Shi, Zheng Zhao, Lishuai Zong, Jinyan Wang, Xigao Jian.  (2023)  Reducing the dielectric loss of poly(aryl ether)s by grafting.  POLYMERS FOR ADVANCED TECHNOLOGIES,  34  (10): (3125-3136).  [PMID:] [10.1002/pat.6127]

2. Ding Zhu, Chen Jiahui, He Zonglin, Wang Chaozhi, Li Hualin, Huang Zhenhong, Liu Baohua, Song Lina.  (2023)  Two-component UV-curable waterborne CO2-based polyurethane dispersion with outstanding flexibility.  Journal of Coatings Technology and Research,  20  (5): (1569-1578).  [PMID:] [10.1007/s11998-023-00763-w]