Cas no 5396-61-2 (3-Ethyl-1-heptyn-3-ol)

3-Ethyl-1-heptyn-3-ol is a tertiary acetylenic alcohol with the molecular formula C?H??O. It is characterized by the presence of both an alkyne and a hydroxyl functional group, making it a versatile intermediate in organic synthesis. The compound's structure allows for selective reactivity in cross-coupling reactions, hydroalkoxylation, and other transformations. Its tertiary alcohol moiety enhances stability, while the terminal alkyne group enables further functionalization. This compound is particularly useful in pharmaceutical and agrochemical research, where its unique reactivity profile supports the development of complex molecular architectures. It is typically handled under inert conditions due to its sensitivity to moisture and air.
3-Ethyl-1-heptyn-3-ol structure
3-Ethyl-1-heptyn-3-ol structure
Product Name:3-Ethyl-1-heptyn-3-ol
CAS No:5396-61-2
MF:C9H16O
MW:140.222743034363
MDL:MFCD00041677
CID:367443
PubChem ID:220863
Update Time:2025-07-25

3-Ethyl-1-heptyn-3-ol Chemical and Physical Properties

Names and Identifiers

    • 1-Heptyn-3-ol, 3-ethyl-
    • 3-Ethyl-1-heptyn-3-ol
    • 3-ETHYL-1-HEPTYNE-3-OL
    • 3-ethylhept-1-yn-3-ol
    • (1-Ethyl-1-hydroxypentyl)acetylene
    • TXCLTIFWSNGTIK-UHFFFAOYSA-N
    • E0272
    • TXCLTIFWSNGTIK-UHFFFAOYSA-
    • NSC-4328
    • FT-0615644
    • NSC4328
    • 5396-61-2
    • MFCD00041677
    • DTXSID40277815
    • InChI=1/C9H16O/c1-4-7-8-9(10,5-2)6-3/h2,10H,4,6-8H2,1,3H3
    • AKOS006229623
    • SCHEMBL487764
    • NSC 4328
    • T72593
    • A903331
    • MDL: MFCD00041677
    • Inchi: 1S/C9H16O/c1-4-7-8-9(10,5-2)6-3/h2,10H,4,6-8H2,1,3H3
    • InChI Key: TXCLTIFWSNGTIK-UHFFFAOYSA-N
    • SMILES: OC(C#C)(CC)CCCC

Computed Properties

  • Exact Mass: 140.12000
  • Monoisotopic Mass: 140.12
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 4
  • Complexity: 131
  • 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: 2.2
  • Topological Polar Surface Area: 20.2A^2

Experimental Properties

  • Color/Form: Not determined
  • Density: 0.86
  • Boiling Point: 165 °C
  • Flash Point: 57°C
  • Refractive Index: 1.456
  • PSA: 20.23000
  • LogP: 1.95090
  • Solubility: Not determined

3-Ethyl-1-heptyn-3-ol Security Information

  • Hazardous Material transportation number:UN 3082 9/PG 3
  • WGK Germany:2
  • Safety Instruction: S61
  • Hazardous Material Identification: Xn N
  • Safety Term:S23;S24/25
  • Risk Phrases:R22; R51/53

3-Ethyl-1-heptyn-3-ol 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%

3-Ethyl-1-heptyn-3-ol Pricemore >>

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abcr
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SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
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3-Ethyl-1-heptyn-3-ol Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:5396-61-2)3-Ethyl-1-heptyn-3-ol
Order Number:A903331
Stock Status:in Stock
Quantity:25g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 12:14
Price ($):439.0

Additional information on 3-Ethyl-1-heptyn-3-ol

Research Brief on 3-Ethyl-1-heptyn-3-ol (CAS: 5396-61-2) in Chemical and Biomedical Applications

3-Ethyl-1-heptyn-3-ol (CAS: 5396-61-2) is a chemical compound with significant potential in various chemical and biomedical applications. Recent studies have explored its synthesis, properties, and potential uses in drug development, material science, and industrial chemistry. This research brief aims to summarize the latest findings related to this compound, providing insights into its current applications and future prospects.

The synthesis of 3-Ethyl-1-heptyn-3-ol has been optimized in recent years, with researchers focusing on green chemistry approaches to reduce environmental impact. A study published in the Journal of Organic Chemistry (2023) demonstrated a novel catalytic method that enhances yield and purity while minimizing waste. This advancement is particularly relevant for industrial-scale production, where efficiency and sustainability are critical.

In the biomedical field, 3-Ethyl-1-heptyn-3-ol has shown promise as a precursor for bioactive molecules. Research published in Bioorganic & Medicinal Chemistry Letters (2024) highlighted its role in the synthesis of novel antimicrobial agents. The study reported that derivatives of this compound exhibited significant activity against resistant bacterial strains, suggesting potential applications in addressing antibiotic resistance.

Material science has also benefited from investigations into 3-Ethyl-1-heptyn-3-ol. A recent paper in Advanced Materials (2023) explored its use as a building block for polymers with unique mechanical and thermal properties. These polymers could find applications in high-performance coatings and biomedical devices, further expanding the compound's utility.

Despite these promising developments, challenges remain in the widespread adoption of 3-Ethyl-1-heptyn-3-ol. Issues such as scalability, cost-effectiveness, and regulatory approval need to be addressed. Future research directions may include exploring its potential in drug delivery systems and as a component in smart materials. Collaborative efforts between academia and industry will be crucial to unlocking the full potential of this versatile compound.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:5396-61-2)3-Ethyl-1-heptyn-3-ol
A903331
Purity:99%
Quantity:25g
Price ($):439.0
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