Pentaethylene glycol monooctyl ether - ≥97% , CAS No.19327-40-3

CAS: 19327-40-3 Cat. No.: P124629 Molecular Weight: 350.49 Beilstein Registry Number: 1711907 EC Number: 692-853-6

GRADE & PURITY ≥97%

Synonyms

3,6,9,12,15-Pentaoxatricosan-1-ol | 2-(5-(methoxycarbonyl)thiophen-2-yl)acetic?acid | MJELOWOAIAAUJT-UHFFFAOYSA-N | CE;Pentaethyleneglycolmonooctylether | C8E5 | Q27097471 | BS-49195 | MFCD00043032 | E73923 | Pentaoxyethylene monooctyl ether | DB08249 | J

Storage

Room temperature

Shipped In

Normal

Overview

Pentaethylene glycol monooctyl ether has been used to study the size and morphology of aggregates. It has also been used in a study to investigate the sorption of monodisperse alcohol ethoxylates and their effects on the mobility of 2,4-D in isolated plant cuticles.

Specifications

Synonyms

3, 6, 9, 12, 15-Pentaoxatricosan-1-ol | 2-(5-(methoxycarbonyl)thiophen-2-yl)acetic?acid | MJELOWOAIAAUJT-UHFFFAOYSA-N | CE;Pentaethyleneglycolmonooctylether | C8E5 | Q27097471 | BS-49195 | MFCD00043032 | E73923 | Pentaoxyethylene monooctyl ether | DB08249 | J

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488188307
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188307
• Canonical Smiles: CCCCCCCCOCCOCCOCCOCCOCCO
• IUPAC Name: 2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol
• InChIKey: MJELOWOAIAAUJT-UHFFFAOYSA-N
• INCHI: 1S/C18H38O6/c1-2-3-4-5-6-7-9-20-11-13-22-15-17-24-18-16-23-14-12-21-10-8-19/h19H,2-18H2,1H3
• Isomeric SMILES: CCCCCCCCOCCOCCOCCOCCOCCO
• WGK Germany: 3
• Molecular Weight: 350.49
• Beilstein: 1711907
• Reaxy-Rn: 1711907
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1711907&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: 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
• Description: 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: 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

• Molecular Weight: 350.500 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 21
• Exact Mass: 350.267 Da
• Monoisotopic Mass: 350.267 Da
• Topological Polar Surface Area: 66.400 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 216.000
• 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