Cas no 4187-86-4 (Ethyl ethynyl carbinol)

Ethyl ethynyl carbinol structure
Ethyl ethynyl carbinol structure
Product Name:Ethyl ethynyl carbinol
CAS No:4187-86-4
MF:C5H8O
MW:84.1164216995239
MDL:MFCD00004572
CID:44824
PubChem ID:24894486
Update Time:2025-09-21

Ethyl ethynyl carbinol Chemical and Physical Properties

Names and Identifiers

    • Ethyl ethynyl carbinol
    • Pentynol
    • 1-Pentyn-3-ol, (Ethyl ethynyl carbinol)
    • 1-Pentyn-3-ol
    • pent-1-yn-3-ol
    • 1-pentyne-3-ol
    • 1-pentynyl-3-ol
    • 4-pentyn-3-ol
    • EINECS 224-063-0
    • ethynyl-ethyl carbinol
    • Ethylethynylcarbinol
    • LBSKEFWQPNVWTP-UHFFFAOYSA-N
    • 1-Pentine-3-ol
    • 3-hydroxy-1-pentine
    • Ethyl ethynyl carbinol,99%
    • KSC236C9H
    • NSC60556
    • RW2034
    • SBB009122
    • NE10332
    • TRA00
    • TRA0025518
    • AB1003518
    • LS
    • FT-0608207
    • MFCD00004572
    • NS00048254
    • DTXSID50871060
    • AKOS009158851
    • BRN 1098409
    • AI3-28604
    • 4187-86-4
    • 4-01-00-02224 (Beilstein Handbook Reference)
    • NSC-60556
    • InChI=1/C5H8O/c1-3-5(6)4-2/h1,5-6H,4H2,2H
    • EN300-82937
    • A825686
    • AB91925
    • P0069
    • 1-Pentyn-3-ol, 98%
    • NSC 60556
    • F0001-1172
    • MDL: MFCD00004572
    • Inchi: 1S/C5H8O/c1-3-5(6)4-2/h1,5-6H,4H2,2H3
    • InChI Key: LBSKEFWQPNVWTP-UHFFFAOYSA-N
    • SMILES: OC(C#C)CC
    • BRN: 1098409

Computed Properties

  • Exact Mass: 84.05750
  • Monoisotopic Mass: 84.058
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 6
  • Rotatable Bond Count: 1
  • Complexity: 67.3
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 0.6
  • Topological Polar Surface Area: 20.2

Experimental Properties

  • Color/Form: colorless liquid
  • Density: 0.975?g/mL?at 25?°C(lit.)
  • Melting Point: -24.1°C (estimate)
  • Boiling Point: 125°C
  • Flash Point: Fahrenheit: 84.2 ° f
    Celsius: 29 ° c
  • Refractive Index: n20/D 1.434(lit.)
  • Water Partition Coefficient: Slightly soluble in water.
  • PSA: 20.23000
  • LogP: 0.39050
  • Solubility: Uncertain

Ethyl ethynyl carbinol Security Information

Ethyl ethynyl carbinol Customs Data

  • HS CODE:2905290000
  • Customs Data:

    China Customs Code:

    2905290000

    Overview:

    2905290000 Other unsaturated monohydric alcohols.Regulatory conditions:nothing.VAT:17.0%.Tax refund rate:9.0%.MFN tariff:5.5%.general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, packing

    Summary:

    2905290000 unsaturated monohydric alcohols.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:5.5%.General tariff:30.0%

Ethyl ethynyl carbinol Pricemore >>

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Ethyl ethynyl carbinol Related Literature

Additional information on Ethyl ethynyl carbinol

Ethyl ethynyl carbinol (CAS No. 4187-86-4): A Comprehensive Overview of Its Chemical Properties and Emerging Applications

Ethyl ethynyl carbinol, chemically designated as ethyl propargyl alcohol, is a significant organic compound with the molecular formula C?H?O and a CAS number of 4187-86-4. This compound has garnered considerable attention in the chemical and pharmaceutical industries due to its unique structural features and versatile reactivity. The presence of both an ethynyl group and a hydroxyl group makes it a valuable intermediate in synthetic chemistry, particularly in the development of fine chemicals and pharmaceuticals.

The ethyl ethynyl carbinol molecule consists of an ethyl group attached to a propargyl alcohol backbone. This configuration imparts distinct chemical properties, including the ability to participate in various organic reactions such as nucleophilic addition, oxidation, and condensation reactions. The compound's reactivity is further enhanced by the electron-withdrawing nature of the triple bond in the propargyl group, which influences its interaction with other molecules.

In recent years, the pharmaceutical industry has shown increasing interest in ethyl ethynyl carbinol due to its potential applications in drug synthesis. Researchers have explored its utility as a precursor in the preparation of complex molecules, including those with therapeutic significance. For instance, derivatives of this compound have been investigated for their role in developing antiviral and anti-inflammatory agents. The ability to functionalize the molecule at multiple sites allows for the creation of diverse pharmacophores, making it a promising candidate for medicinal chemistry.

One of the most notable applications of ethyl ethynyl carbinol is in the synthesis of specialty chemicals used in agrochemicals. The compound's structural features make it suitable for forming stable intermediates that can be further modified to produce pesticides and herbicides with enhanced efficacy and environmental compatibility. Recent studies have highlighted its role in developing novel formulations that reduce toxicity while maintaining effectiveness against pests.

The chemical industry has also leveraged ethyl ethynyl carbinol for producing high-performance materials. Its incorporation into polymers and resins improves mechanical strength and thermal stability, making it valuable in aerospace and automotive applications. Additionally, researchers have explored its potential as a monomer or crosslinking agent in advanced material synthesis, where its unique reactivity contributes to innovative product development.

From an environmental perspective, the sustainable production and utilization of ethyl ethynyl carbinol are areas of active research. Efforts are underway to develop greener synthetic routes that minimize waste and energy consumption. These initiatives align with global trends toward sustainable chemistry, ensuring that industrial processes remain efficient while reducing their ecological footprint.

The analytical characterization of ethyl ethynyl carbinol is another critical aspect of its study. Modern analytical techniques such as nuclear magnetic resonance (NMR) spectroscopy, mass spectrometry (MS), and high-performance liquid chromatography (HPLC) provide detailed insights into its molecular structure and purity. These methods are essential for quality control in industrial settings and for ensuring consistency in research applications.

Future research directions for ethyl ethynyl carbinol include exploring its role in biotechnology and nanotechnology. The compound's ability to interact with biological systems makes it a candidate for developing bio-based materials or serving as a ligand in catalytic systems. Furthermore, its potential applications in nanomedicine are being investigated, particularly for drug delivery systems where its structural properties could enhance targeting efficiency.

In conclusion, ethyl ethynyl carbinol (CAS No. 4187-86-4) is a multifaceted compound with broad applications across multiple industries. Its unique chemical properties make it indispensable in pharmaceuticals, agrochemicals, materials science, and environmental chemistry. As research continues to uncover new possibilities for this molecule, its significance is expected to grow further, driving innovation across scientific disciplines.

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