Cas no 112-58-3 (n-Hexyl ether)

n-Hexyl ether (C12H26O) is a dialkyl ether characterized by its clear, colorless appearance and low volatility. Its linear hexyl chains impart favorable solvent properties, making it useful in organic synthesis, coatings, and specialty applications requiring a non-polar, inert medium. The compound exhibits good thermal stability and a relatively high boiling point, enabling its use in elevated-temperature processes. Its hydrophobic nature and compatibility with various resins and polymers enhance its utility as a reaction solvent or formulation component. n-Hexyl ether is also noted for its low water solubility, reducing hydrolysis risks in sensitive reactions. Proper handling is advised due to its flammability and potential mild irritant effects.
n-Hexyl ether structure
n-Hexyl ether structure
Product Name:n-Hexyl ether
CAS No:112-58-3
MF:C12H26O
MW:186.334244251251
MDL:MFCD00009525
CID:188537
PubChem ID:87570582
Update Time:2025-10-30

n-Hexyl ether Chemical and Physical Properties

Names and Identifiers

    • Hexane, 1,1'-oxybis-
    • n-Hexyl ether
    • Hexyl Ether
    • Di-n-Hexyl ether
    • DIHEXYL ETHER
    • 1-hexoxyhexane
    • n-hexyl
    • ether,dihexyl
    • Bis(1-hexyl)ether
    • 1,1’-oxybis-hexan
    • Ether, dihexyl
    • 1,1'-Oxybis(hexane)
    • Q63392163
    • W1U07QA435
    • MFCD00009525
    • Bis(1-hexyl) ether
    • EINECS 203-987-8
    • 112-58-3
    • dihexylether
    • hexylether
    • NSC9286
    • FT-0625184
    • J-002797
    • UNII-W1U07QA435
    • DTXSID8059421
    • NSC 9286
    • BRN 1738177
    • AI3-01454
    • 1-(Hexyloxy)hexane #
    • AKOS024390939
    • 1-(Hexyloxy)hexane
    • BS-23520
    • InChI=1/C12H26O/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-12H2,1-2H
    • 1-(hexyloxy)-hexane
    • Dihexyl ether, 97%
    • 4-01-00-01698 (Beilstein Handbook Reference)
    • Hexane,1'-oxybis-
    • EC 203-987-8
    • SCHEMBL66247
    • NS00007660
    • NSC-9286
    • CS-0204272
    • WLN: 6O6
    • H0138
    • Bis(1hexyl)ether
    • Hexyl ether (8CI)
    • DTXCID4033263
    • Hexane, 1,1'oxybis
    • Bis(1hexyl) ether
    • nHexyl ether
    • 1,1'-OXYBISHEXANE
    • 1,1'oxybis(hexane)
    • Dinhexyl ether
    • DB-041100
    • MDL: MFCD00009525
    • Inchi: 1S/C12H26O/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-12H2,1-2H3
    • InChI Key: BPIUIOXAFBGMNB-UHFFFAOYSA-N
    • SMILES: O(CCCCCC)CCCCCC

Computed Properties

  • Exact Mass: 186.19800
  • Monoisotopic Mass: 186.198365
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 10
  • Complexity: 71.2
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 9.2
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 4.7

Experimental Properties

  • Color/Form: Colorless liquid with slight ether smell.
  • Density: 0.793?g/mL?at 25?°C(lit.)
  • Melting Point: -43°C
  • Boiling Point: 226°C
  • Flash Point: Fahrenheit: 172.4 ° f
    Celsius: 78 ° c
  • Refractive Index: n20/D 1.4204(lit.)
  • Water Partition Coefficient: Fully miscible in water.
  • PSA: 9.23000
  • LogP: 4.16360
  • Solubility: It is slightly soluble in water and can be miscible with a variety of organic solvents. 0.01% in water at 20 ℃; Water dissolved in hexyl ether 0.12%.
  • Vapor Pressure: 0.1±0.4 mmHg at 25°C

n-Hexyl ether Security Information

n-Hexyl ether Customs Data

  • HS CODE:2909199090
  • Customs Data:

    China Customs Code:

    2909199090

    Overview:

    2909199090. Other acyclic ethers and their halogenated derivatives(Including sulfonation,Nitrosative or nitrosative derivatives). VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:5.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2909199090. other acyclic ethers and their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

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n-Hexyl ether Suppliers

Amadis Chemical Company Limited
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(CAS:112-58-3)n-Hexyl ether
Order Number:A1200816
Stock Status:in Stock
Quantity:500g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 02:43
Price ($):513.0

n-Hexyl ether Related Literature

Additional information on n-Hexyl ether

n-Hexyl Ether (CAS No. 112-58-3): An Overview of Properties, Applications, and Recent Research

n-Hexyl ether, with the chemical formula C6H13OCH3, is a colorless, volatile liquid that belongs to the class of ethers. It is characterized by its distinctive odor and low boiling point, making it a versatile compound in various industrial and research applications. This article provides a comprehensive overview of n-Hexyl ether, including its physical and chemical properties, synthesis methods, applications, and recent advancements in research.

Physical and Chemical Properties:

n-Hexyl ether is a linear alkyl ether with a molecular weight of 102.19 g/mol. It has a boiling point of approximately 108°C and a melting point of -97°C. The compound is slightly soluble in water but highly soluble in organic solvents such as ethanol, acetone, and diethyl ether. Its density is around 0.71 g/cm3 at room temperature. The vapor pressure of n-Hexyl ether is relatively low, which contributes to its stability under normal conditions.

The chemical structure of n-Hexyl ether consists of a six-carbon alkyl chain attached to an oxygen atom, which is further bonded to a methyl group. This structure imparts unique properties to the compound, such as its ability to form hydrogen bonds and its low reactivity with many common reagents. These properties make it suitable for use in various chemical processes and as a solvent in laboratory settings.

Synthesis Methods:

n-Hexyl ether can be synthesized through several methods, including the reaction of hexanol with methanol in the presence of an acid catalyst. One common method involves the dehydration of hexanol using concentrated sulfuric acid or phosphoric acid. The reaction can be represented as follows:

C6H13OH + CH3OH → C6H13OCH3 + H2O

This process yields high purity n-Hexyl ether, which can be further purified by distillation to remove any residual water or unreacted alcohols. Another method involves the reaction of hexyl bromide with sodium methoxide in an inert solvent such as tetrahydrofuran (THF). This method is particularly useful for producing high-purity ethers for specialized applications.

Applications:

n-Hexyl ether finds extensive use in various industries due to its unique properties. In the pharmaceutical industry, it serves as an intermediate in the synthesis of certain drugs and as a solvent for dissolving active pharmaceutical ingredients (APIs). Its low toxicity and high solubility make it suitable for use in formulations that require precise control over solubility and stability.

In the chemical industry, n-Hexyl ether is used as a solvent in polymerization reactions and as a plasticizer for improving the flexibility and durability of polymers. It is also employed in the production of adhesives, coatings, and paints due to its ability to enhance the adhesion properties of these materials.

In laboratory settings, n-Hexyl ether is widely used as a solvent for organic reactions and chromatographic separations. Its low boiling point and high volatility make it an ideal choice for techniques such as gas chromatography (GC) and thin-layer chromatography (TLC). Additionally, it is used in the preparation of standard solutions for calibration purposes.

Recent Research:

The versatility of n-Hexyl ether has led to ongoing research into new applications and improved synthesis methods. Recent studies have explored its potential as a green solvent for sustainable chemical processes. For example, researchers at the University of California have investigated the use of renewable feedstocks for the production of alkyl ethers, including n-Hexyl ether. This approach aims to reduce the environmental impact associated with traditional synthesis methods while maintaining high yields and purity levels.

In another study published in the Journal of Organic Chemistry, scientists from Harvard University have developed novel catalytic systems for the selective synthesis of alkyl ethers from alcohols using mild conditions. These advancements have significant implications for industrial-scale production, offering more efficient and cost-effective routes to produce compounds like n-Hexyl ether.

Beyond its industrial applications, there is growing interest in exploring the biological activity of alkyl ethers like n-Hexyl ether strong>. Research conducted at the National Institutes of Health has shown that certain alkyl ethers exhibit antimicrobial properties against a range of pathogenic bacteria. While more studies are needed to fully understand the mechanisms behind these effects, this finding opens up new possibilities for developing novel antimicrobial agents based on alkyl ethers.

Safety Considerations:

Safety is a critical aspect when handling any chemical compound. While n-Hexyl ether strong> is generally considered safe under normal conditions, proper precautions should be taken to ensure safe handling and storage. It is important to use appropriate personal protective equipment (PPE) such as gloves and safety goggles when working with this compound. Additionally, it should be stored in well-ventilated areas away from sources of heat or ignition.

In case of accidental exposure, immediate action should be taken to minimize health risks. If inhalation occurs, move to fresh air immediately and seek medical attention if symptoms persist. If skin contact occurs, wash affected areas thoroughly with soap and water. In case of eye contact, rinse eyes with plenty of water for at least 15 minutes and seek medical advice.

Conclusion:

n-Hexyl ether (CAS No. 112-58-3) strong> is a versatile compound with a wide range of applications in various industries due to its unique physical and chemical properties. Ongoing research continues to uncover new possibilities for its use in sustainable chemical processes and biological applications. By adhering to proper safety protocols, this compound can be safely handled and utilized to advance scientific knowledge and industrial practices.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:112-58-3)n-Hexyl ether
A1200816
Purity:99%
Quantity:500g
Price ($):513.0
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