2-[2-[(2-Ethylhexyl)oxy]ethoxy]ethanol - ≥97% , CAS No.1559-36-0

CAS: 1559-36-0 Cat. No.: E1051707 Molecular Weight: 218.33 EC Number: 437-540-5

GRADE & PURITY ≥97%

Storage

Room temperature,Desiccated,Cool

Shipped In

Normal

Overview

Diethylene glycol monoctyl ether is a commonly used organic solvent and surfactant.

Nature

It appears as a colorless liquid with low volatility.

It has a relatively low solubility in water and is miscible with many organic solvents.

It has excellent surface activity properties and can reduce the surface tension between liquids.

It has excellent solubility and dispersing assistance.

Purpose

As an organic solvent, it can be used in industries such as coatings, paints, cleaners, inks, resins, plastics and textiles;

- Used for surfactants, it can be used in the preparation of emulsions and dispersants;

- As a medium in chemical reactions.

Specifications

Specifications & Purity

≥97%

Storage

Room temperature, Desiccated, Cool

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CCCCC(CC)COCCOCCO
• IUPAC Name: 2-[2-(2-ethylhexoxy)ethoxy]ethanol
• InChIKey: OADIZUFHUPTFAG-UHFFFAOYSA-N
• INCHI: 1S/C12H26O3/c1-3-5-6-12(4-2)11-15-10-9-14-8-7-13/h12-13H,3-11H2,1-2H3
• Molecular Weight: 218.33

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: 218.330 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 11
• Exact Mass: 218.188 Da
• Monoisotopic Mass: 218.188 Da
• Topological Polar Surface Area: 38.700 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 117.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1