1,4-Bis(2-hydroxyethoxy)benzene - ≥95%(GC) , CAS No.104-38-1

CAS: 104-38-1 Cat. No.: B151930 Molecular Weight: 198.22 Beilstein Registry Number: 6(3)4406 EC Number: 203-197-3

GRADE & PURITY ≥95%(GC)

Synonyms

hydroquinone dihydroxyethyl ether | NSC1862 | NSC-1862 | 2,2'-p-Phenylenedioxydiethanol | BS-14346 | EINECS 203-197-3 | Ethanol,2'-(p-phenylenedioxy)di- | 2,2'-(Phenylenedioxy)diethanol | 2,2'-(p-Phenylenedioxy)diethanol | 1,4-Bis(beta-hydroxyethoxy)benze

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

Product Application：

Hydroquinone bis(2-hydroxyethyl) ether is used to produce 1,4-bis-(2-bromo-ethoxy)-benzene.

Specifications

Synonyms

hydroquinone dihydroxyethyl ether | NSC1862 | NSC-1862 | 2, 2'-p-Phenylenedioxydiethanol | BS-14346 | EINECS 203-197-3 | Ethanol, 2'-(p-phenylenedioxy)di- | 2, 2'-(Phenylenedioxy)diethanol | 2, 2'-(p-Phenylenedioxy)diethanol | 1, 4-Bis(beta-hydroxyethoxy)benze

Specifications & Purity

≥95%(GC)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥95%(GC)

Names and Identifiers

• Pubchem Sid: 488183878
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183878
• Canonical Smiles: C1=CC(=CC=C1OCCO)OCCO
• IUPAC Name: 2-[4-(2-hydroxyethoxy)phenoxy]ethanol
• InChIKey: WTPYFJNYAMXZJG-UHFFFAOYSA-N
• INCHI: 1S/C10H14O4/c11-5-7-13-9-1-2-10(4-3-9)14-8-6-12/h1-4,11-12H,5-8H2
• Isomeric SMILES: C1=CC(=CC=C1OCCO)OCCO
• Molecular Weight: 198.22
• Beilstein: 6(3)4406
• Reaxy-Rn: 514873
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=514873&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Alkyl aryl ethers Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a 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(non-human)

Pseudomonas aeruginosa (123386 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Insoluble in water
• Sensitivity: Hygroscopic
• Melt Point(°C): 105 °C
• Molecular Weight: 198.220 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 198.089 Da
• Monoisotopic Mass: 198.089 Da
• Topological Polar Surface Area: 58.900 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 116.000
• 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

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