Polyethylene glycol monoisodecyl ether - E-1006 , CAS No.61827-42-7

CAS: 61827-42-7 Cat. No.: P304168 EC Number: 612-519-5 PubChem CID: 94600

GRADE & PURITY E-1006

Storage

Room temperature

Shipped In

Normal

Specifications

Specifications & Purity

E-1006

Storage

Room temperature

Shipped In

Normal

Names and Identifiers

• Pubchem Sid: 504756230
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756230
• Canonical Smiles: CC(C)CCCCCCCOCCO
• IUPAC Name: 2-(8-methylnonoxy)ethanol
• InChIKey: LHTCFGRXHNJRBP-UHFFFAOYSA-N
• INCHI: 1S/C12H26O2/c1-12(2)8-6-4-3-5-7-10-14-11-9-13/h12-13H,3-11H2,1-2H3
• Isomeric SMILES: CC(C)CCCCCCCOCCO
• PubChem CID: 94600

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Dialkyl ethers
• Alternative Parents: Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dialkyl ether - Hydrocarbon derivative - Primary alcohol - Alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as dialkyl ethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are alkyl groups.
• 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: 202.330 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 10
• Exact Mass: 202.193 Da
• Monoisotopic Mass: 202.193 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 102.000
• 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. Jian Zhang, Xiujun Wang, Qiang Liang, Ming Duan, Shenwen Fang, Chunsheng Zhang, Jiaqing Chen.  (2023)  Demulsification law of polyether demulsifier for W/O crude oil emulsion containing hydrophobically modified polyacrylamide in water.  JOURNAL OF MOLECULAR LIQUIDS,      [PMID:] [10.1016/j.molliq.2023.123805]

2. Zhe Wang, Han Jia, Qiuxia Wang, Ruitong Xu, Haowen Yu, Zhenghao Kou, Yihan Huang, Bowen Wang, Xu Li.  (2025)  Effect of Amphiphilic Silicon Quantum Dots on Foam Stability and Their Potential in Enhanced Oil Recovery.  ENERGY & FUELS,      [PMID:] [10.1021/acs.energyfuels.5c00204]

3. Zhaowei Hou, Xiaolin Wu, Guopeng Wu, Yi Lu, Wei Lang, Xing Li, Xiaowei Li, Xin Zhao, Shouliang Lu.  (2024)  Investigation on the stability of mixed AlOOH/SiO2 nanoparticles assisted non-ionic surfactant stabilized foam and its application in enhancing oil recovery.  JOURNAL OF MOLECULAR LIQUIDS,      [PMID:] [10.1016/j.molliq.2024.126608]