1,4-Bis(2-hydroxyethyl)benzene - ≥98%(GC) , CAS No.5140-03-4

CAS: 5140-03-4 Cat. No.: B133734 Molecular Weight: 166.22 EC Number: 148-339-4

GRADE & PURITY ≥98%(GC)

Synonyms

1,4-Bis(2-hydroxyethyl)benzene, AldrichCPR | 2,2'-p-phenylenediethanol | 1,4-Bis(2-hydroxyethyl)benzene | 2,2'-benzene-1,4-diyldiethanol | 1,4-Phenylenediethanol | 2-[4-(2-hydroxyethyl)phenyl]ethanol | FT-0635558 | LBZZJNPUANNABV-UHFFFAOYSA-N | BBL100976

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

1, 4-Bis(2-hydroxyethyl)benzene, AldrichCPR | 2, 2'-p-phenylenediethanol | 1, 4-Bis(2-hydroxyethyl)benzene | 2, 2'-benzene-1, 4-diyldiethanol | 1, 4-Phenylenediethanol | 2-[4-(2-hydroxyethyl)phenyl]ethanol | FT-0635558 | LBZZJNPUANNABV-UHFFFAOYSA-N | BBL100976

Specifications & Purity

≥98%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

• Canonical Smiles: C1=CC(=CC=C1CCO)CCO
• IUPAC Name: 2-[4-(2-hydroxyethyl)phenyl]ethanol
• InChIKey: LBZZJNPUANNABV-UHFFFAOYSA-N
• INCHI: 1S/C10H14O2/c11-7-5-9-1-2-10(4-3-9)6-8-12/h1-4,11-12H,5-8H2
• Isomeric SMILES: C1=CC(=CC=C1CCO)CCO
• Molecular Weight: 166.22
• Reaxy-Rn: 2437719
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2437719&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - 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 benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of 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

Chemical and Physical Properties

• Boil Point(°C): 193 °C/11 mmHg
• Melt Point(°C): 86.0 - 90.0 °C
• Molecular Weight: 166.220 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 166.099 Da
• Monoisotopic Mass: 166.099 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 92.400
• 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. Lesly Dasilva Wandji Djouonkep, Christian Tatchum Tamo, Belle Elda Simo, Nasiru Issah, Marc Nivic Tchouagtie, Naomie Beolle Songwe Selabi, Ingo Doench, Arnaud Kamdem Tamo, Binqiang Xie, Anayancy Osorio-Madrazo.  (2023)  Synthesis by Melt-Polymerization of a Novel Series of Bio-Based and Biodegradable Thiophene-Containing Copolyesters with Promising Gas Barrier and High Thermomechanical Properties.  MOLECULES,  28  (4): (1825).  [PMID:36838821] [10.3390/molecules28041825]

2. Yan Chen, Ming-Kun Yang, Suo-Luan Zhou, Cheng-Nuo Hu, Yun-Han Yang, Zhen Zhang, Li-Juan Yang.  (2025)  Selective capture of iodine and toxic anionic dyes of a novel quaternary ammonium salt pillar[5]arene polymer with antibacterial activity.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2025.159974]