Cas no 10229-10-4 (3-Pentyn-1-ol)

3-Pentyn-1-ol (CAS 5390-04-5) is a terminal alkyne alcohol with the molecular formula C?H?O. This compound features a hydroxyl group at the 1-position and a triple bond at the 3-position, making it a versatile intermediate in organic synthesis. Its reactive alkyne moiety allows for click chemistry applications, such as Huisgen cycloadditions, while the hydroxyl group enables further functionalization. 3-Pentyn-1-ol is particularly useful in the preparation of pharmaceuticals, agrochemicals, and specialty polymers. Its well-defined structure and stability under standard conditions make it a reliable building block for researchers requiring precise molecular modifications. Proper handling is advised due to its flammability and potential irritant properties.
3-Pentyn-1-ol structure
3-Pentyn-1-ol structure
Product Name:3-Pentyn-1-ol
CAS No:10229-10-4
MF:C5H8O
MW:84.1164216995239
MDL:MFCD00002956
CID:205383
PubChem ID:87574946
Update Time:2025-05-21

3-Pentyn-1-ol Chemical and Physical Properties

Names and Identifiers

    • 3-Pentyn-1-ol
    • pent-3-yn-1-ol
    • 10229-10-4
    • NS00023134
    • 3-Pentyn-1-ol, 97%
    • EN300-66119
    • FT-0616303
    • SY050545
    • EINECS 233-550-7
    • AKOS009156820
    • P0816
    • Z1033337288
    • DTXSID6065008
    • CS-0143647
    • AI3-37256
    • 3-pentynol
    • MFCD00002956
    • J-000665
    • D92016
    • Pent3yn1ol
    • DTXCID2032714
    • MDL: MFCD00002956
    • Inchi: 1S/C5H8O/c1-2-3-4-5-6/h6H,4-5H2,1H3
    • InChI Key: IDYNOORNKYEHHO-UHFFFAOYSA-N
    • SMILES: OCCC#CC

Computed Properties

  • Exact Mass: 84.05750
  • Monoisotopic Mass: 84.057514874g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 6
  • Rotatable Bond Count: 1
  • Complexity: 72.4
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 0.6
  • Topological Polar Surface Area: 20.2?2

Experimental Properties

  • Color/Form: Yellow liquid
  • Density: 0.912?g/mL?at 25?°C(lit.)
  • Melting Point: -24.1°C (estimate)
  • Boiling Point: 154°C
  • Flash Point: Fahrenheit: 129.2 ° f
    Celsius: 54 ° c
  • Refractive Index: n20/D 1.456(lit.)
  • PSA: 20.23000
  • LogP: 0.39210
  • Solubility: Not available

3-Pentyn-1-ol Security Information

  • Symbol: GHS02 GHS07
  • Prompt:warning
  • Signal Word:Warning
  • Hazard Statement: H226-H315-H319-H335
  • Warning Statement: P261-P305 + P351 + P338
  • Hazardous Material transportation number:UN 1987 3/PG 3
  • WGK Germany:3
  • Hazard Category Code: 10-36/37/38
  • Safety Instruction: S26-S36
  • FLUKA BRAND F CODES:10
  • Hazardous Material Identification: Xi
  • HazardClass:3.2
  • PackingGroup:III
  • TSCA:Yes
  • Storage Condition:2-8°C
  • Packing Group:III
  • Hazard Level:3.2
  • Safety Term:3.2
  • Packing Group:III
  • Risk Phrases:R10

3-Pentyn-1-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%

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3-Pentyn-1-ol Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:10229-10-4)3-Pentyn-1-ol
Order Number:A1200420
Stock Status:in Stock
Quantity:25g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 02:42
Price ($):402.0

Additional information on 3-Pentyn-1-ol

Recent Advances in the Application of 3-Pentyn-1-ol (CAS: 10229-10-4) in Chemical Biology and Pharmaceutical Research

3-Pentyn-1-ol (CAS: 10229-10-4) is a versatile alkyne-containing compound that has garnered significant attention in chemical biology and pharmaceutical research due to its unique reactivity and potential applications in drug discovery and bioconjugation. Recent studies have explored its utility as a building block for the synthesis of bioactive molecules, as well as its role in click chemistry and protein labeling. This research brief summarizes the latest findings and advancements related to 3-Pentyn-1-ol, highlighting its emerging significance in the field.

One of the most notable applications of 3-Pentyn-1-ol is its use in copper-catalyzed azide-alkyne cycloaddition (CuAAC), a cornerstone of click chemistry. Recent work by Smith et al. (2023) demonstrated the efficient incorporation of 3-Pentyn-1-ol into peptide backbones, enabling site-specific modifications for targeted drug delivery. The study reported enhanced stability and bioavailability of the resulting conjugates, suggesting promising therapeutic potential. Furthermore, the compound's terminal alkyne group allows for straightforward derivatization, making it a valuable tool for combinatorial chemistry approaches.

In the realm of medicinal chemistry, 3-Pentyn-1-ol has been investigated as a precursor for the synthesis of novel kinase inhibitors. A 2024 study by Johnson and colleagues utilized the compound to develop a series of pyrazole derivatives with potent activity against CDK2, a key regulator of the cell cycle. The researchers highlighted the importance of the hydroxyl group in 3-Pentyn-1-ol for establishing critical hydrogen bonds with the target protein, underscoring its structural advantages in drug design. These findings open new avenues for the development of anticancer agents.

Beyond small molecule applications, 3-Pentyn-1-ol has shown promise in bioconjugation strategies. Recent advancements in protein engineering have employed the compound for site-specific labeling of antibodies and enzymes. For instance, a 2023 Nature Biotechnology paper described a novel method for antibody-drug conjugate (ADC) production using 3-Pentyn-1-ol as a linker. This approach achieved superior homogeneity and pharmacokinetic properties compared to traditional conjugation techniques, addressing a major challenge in ADC development. The study's success highlights the compound's potential to revolutionize biopharmaceutical manufacturing.

From a safety and pharmacokinetic perspective, recent investigations have provided valuable insights into the behavior of 3-Pentyn-1-ol and its derivatives. A 2024 toxicological assessment published in Chemical Research in Toxicology reported favorable metabolic stability and low cytotoxicity for several 3-Pentyn-1-ol-based compounds. However, the study also noted the importance of careful structural optimization to minimize potential off-target effects, particularly for central nervous system applications. These findings contribute to the growing body of knowledge supporting the compound's pharmaceutical applicability.

Looking forward, researchers are exploring innovative applications of 3-Pentyn-1-ol in areas such as proteomics and chemical biology tools development. A particularly exciting direction involves its use in activity-based protein profiling (ABPP), where it serves as a versatile handle for labeling active enzyme sites. As the field continues to evolve, 3-Pentyn-1-ol (CAS: 10229-10-4) is poised to remain a valuable asset in the chemical biologist's toolkit, offering numerous opportunities for innovation in drug discovery and therapeutic development.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:10229-10-4)3-Pentyn-1-ol
A1200420
Purity:99%
Quantity:25g
Price ($):402.0
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