Octaethylene glycol - ≥98% , CAS No.5117-19-1

CAS: 5117-19-1 Cat. No.: O122113 Peso molecular: 370.44 Beilstein Registry Number: 1(4)2408 Número EC: 225-856-4

GRADE & PURITY ≥98%

Synonyms

octaethylene glycol ped-diol (n=8) | AMY19030 | Q27120582 | DTXSID3058618 | 4gs9 | 2-methylthio-4-chloro-5-ethoxycarbonylpyrimidine | J7OKQCC0KW | PE8 | A829142 | O0295 | 3,6,9,12,15,18,21-Heptaoxatricosane-21,23-diol | EINECS 225-856-4 | 4-Amino-2,6-dich

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

Octaethylene glycol also known as PED-diol (n=8), is a cross linking reagent commonly used in organic synthesis. 

Application

Octaethylene glycol is used as a cross-linking reagent to produce cyclic octaethylene glycol 5-nitroisophthalate. It serves as a starting material for synthesizing heterobifunctionalized clickable oligo(ethylene glycol) linkers and supramolecular polymers.

Specifications

Sinónimos

octaethylene glycol ped-diol (n=8) | AMY19030 | Q27120582 | DTXSID3058618 | 4gs9 | 2-methylthio-4-chloro-5-ethoxycarbonylpyrimidine | J7OKQCC0KW | PE8 | A829142 | O0295 | 3, 6, 9, 12, 15, 18, 21-Heptaoxatricosane-21, 23-diol | EINECS 225-856-4 | 4-Amino-2, 6-dich

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504755315
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755315
• Sonrisas canónicas: C(COCCOCCOCCOCCOCCOCCOCCO)O
• IUPAC Name: 2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
• InChIKey: GLZWNFNQMJAZGY-UHFFFAOYSA-N
• INCHI: 1S/C16H34O9/c17-1-3-19-5-7-21-9-11-23-13-15-25-16-14-24-12-10-22-8-6-20-4-2-18/h17-18H,1-16H2
• Isómeros SMILES: C(COCCOCCOCCOCCOCCOCCOCCO)O
• WGK Alemania: 3
• Peso molecular: 370.44
• Beilstein: 1(4)2408
• Reaxy-Rn: 1800447
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1800447&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Ethers
        • Level5 Dialkyl ethers
          • Level6 Polyethylene glycols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Dialkyl ethers
• Direct Parent: Polyethylene glycols
• Alternative Parents: Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Polyethylene glycol - Hydrocarbon derivative - Primary alcohol - Alcohol - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as polyethylene glycols. These are oligomers or polymers of ethylene oxide, with the general formula (C2H4O)n (with n>=3).
• External Descriptors: poly(ethylene glycol)

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

Propiedades químicas y físicas

• Índice de refracción: 1.47
• Peso molecular: 370.440 g/mol
• XLogP3: -2.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 22
• Exact Mass: 370.22 Da
• Monoisotopic Mass: 370.22 Da
• Topological Polar Surface Area: 105.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 210.000
• 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

Referencias

1. Yongqiang Li, Hui Dong, Quan Tao, Caichao Ye, Mengmeng Yu, Jipeng Li, Huifang Zhou, Siwei Yang, Guqiao Ding, Xiaoming Xie.  (2020)  Enhancing the magnetic relaxivity of MRI contrast agents via the localized superacid microenvironment of graphene quantum dots.  BIOMATERIALS,      [PMID:32339859] [10.1016/j.biomaterials.2020.120056]

2. Li Yongqiang, Yang Siwei, Bao Wancheng, Tao Quan, Jiang Xiuyun, Li Jipeng, He Peng, Wang Gang, Qi Kai, Dong Hui, Ding Guqiao, Xie Xiaoming.  (2024)  Accelerated proton dissociation in an excited state induces superacidic microenvironments around graphene quantum dots.  Nature Communications,  15  (1): (1-13).  [PMID:39103388] [10.1038/s41467-024-50982-x]