Ethylene glycol monohexyl ether - ≥98% , CAS No.112-25-4

CAS: 112-25-4 Cat. No.: E107697 Molecular Weight: 146.23 Beilstein Registry Number: 1734691 EC Number: 203-951-1

GRADE & PURITY ≥98%

Synonyms

NCGC00259654-01 | 2-(hexyloxy)ethan-1-ol | 2-Hexyloxy-1-ethanol | Ethylenglykolmonohexylether | MFCD00045997 | AKOS009156771 | 2-(1-Hexyloxy) ethanol | NCGC00254448-01 | Tox21_300545 | Ethylene glycol monohexyl ether | 2-n-(Hexyloxy)ethanol | DTXCID606908

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

NCGC00259654-01 | 2-(hexyloxy)ethan-1-ol | 2-Hexyloxy-1-ethanol | Ethylenglykolmonohexylether | MFCD00045997 | AKOS009156771 | 2-(1-Hexyloxy) ethanol | NCGC00254448-01 | Tox21_300545 | Ethylene glycol monohexyl ether | 2-n-(Hexyloxy)ethanol | DTXCID606908

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488180712
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180712
• Canonical Smiles: CCCCCCOCCO
• IUPAC Name: 2-hexoxyethanol
• InChIKey: UPGSWASWQBLSKZ-UHFFFAOYSA-N
• INCHI: 1S/C8H18O2/c1-2-3-4-5-7-10-8-6-9/h9H,2-8H2,1H3
• Isomeric SMILES: CCCCCCOCCO
• WGK Germany: 1
• RTECS: KL2450000
• Molecular Weight: 146.23
• Beilstein: 1734691
• Reaxy-Rn: 1734691
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1734691&ln=

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

• Solubility: Slightly soluble in water; Very soluble in Ether,Alcohol
• Sensitivity: air sensitive
• Refractive Index: 1.43
• Flash Point(°F): 90 °C
• Flash Point(°C): 90°C
• Boil Point(°C): 205°C
• Melt Point(°C): -45°C(lit.)
• Molecular Weight: 146.230 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 146.131 Da
• Monoisotopic Mass: 146.131 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 55.200
• 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. Qinghai Long, Shuo Wang, Xin Yin, Shufeng Shen.  (2023)  Nonaqueous binary solvents of 2-hexyloxyethanol with three secondary alkanolamines: Density, viscosity and excess/deviation properties.  JOURNAL OF CHEMICAL THERMODYNAMICS,      [PMID:] [10.1016/j.jct.2023.107068]

2. Qinghai Long, Shuo Wang, Shufeng Shen.  (2023)  CO2 capture using EGHE-based water-lean solvents with novel water balance design.  CHEMICAL ENGINEERING SCIENCE,      [PMID:] [10.1016/j.ces.2023.118658]

3. Xue Zou, Mucong Zi, Kai Liu, Tiantian Wu, Daoyi Chen.  (2024)  The molecular chain’s length effect of alcohol and ether for synergistic enhancement with novel kinetic hydrate inhibitors in hydrate inhibition.  FUEL,      [PMID:] [10.1016/j.fuel.2024.131987]

4. Jing Wang, Zhixuan Ma, Shuai Wang, Shufeng Shen.  (2025)  Diffusivity and Solubility of CO2 and N2O in Nonaqueous 2-(Ethylamino)ethanol/2-Hexyloxyethanol Solutions: Correlating Gas Properties with Solvent Polarity.  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,      [PMID:] [10.1021/acs.iecr.5c02851]