Hexaethylene Glycol Monododecyl Ether - ≥97% , CAS No.3055-96-7

CAS: 3055-96-7 Cat. No.: H157167 Molecular Weight: 450.66 EC Number: 221-282-3

GRADE & PURITY ≥97%

Synonyms

Hexaethylene glycol monododecyl ether | Hexaeehylene glycol dodecyl ether | SCHEMBL61970 | UNII-J2N33740SH | EINECS 221-282-3 | Hexaethylene glycol monododecyl ether, semisolid | SY052176 | T72265 | 3,6,9,12,15,18-Hexaoxa-1-triacontanol | Hexa(oxydiethano

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

Hexaethylene glycol monododecyl ether | Hexaeehylene glycol dodecyl ether | SCHEMBL61970 | UNII-J2N33740SH | EINECS 221-282-3 | Hexaethylene glycol monododecyl ether, semisolid | SY052176 | T72265 | 3, 6, 9, 12, 15, 18-Hexaoxa-1-triacontanol | Hexa(oxydiethano

Specifications & Purity

≥97%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504752875
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752875
• Canonical Smiles: CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCO
• IUPAC Name: 2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
• InChIKey: OJCFEGKCRWEVSN-UHFFFAOYSA-N
• INCHI: 1S/C24H50O7/c1-2-3-4-5-6-7-8-9-10-11-13-26-15-17-28-19-21-30-23-24-31-22-20-29-18-16-27-14-12-25/h25H,2-24H2,1H3
• Isomeric SMILES: CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCO
• RTECS: MP4780500
• Molecular Weight: 450.66
• Reaxy-Rn: 1715367
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1715367&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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Air & moisture Sensitive
• Melt Point(°C): 26 °C
• Molecular Weight: 450.600 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 28
• Exact Mass: 450.356 Da
• Monoisotopic Mass: 450.356 Da
• Topological Polar Surface Area: 75.600 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 306.000
• 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

1. Biao Zhang, Baoshan Guan, Yufan Tao, Weidong Liu, Baoliang Peng, Kai Lv.  (2024)  Surfactant Synergistic Effect and Interfacial Properties of Microemulsions Compounded with Anionic and Nonionic Surfactants Using Dissipative Particle Dynamics.  ACS Omega,      [PMID:38854575] [10.1021/acsomega.4c01933]