Cas no 4187-86-4 (Ethyl ethynyl carbinol)
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
-
Symbol:
- Prompt:dangerous
- Signal Word:Danger
- Hazard Statement: H226-H301
- Warning Statement: P210-P233-P240-P241+P242+P243-P264-P270-P280-P301+P310+P330-P303+P361+P353-P370+P378-P403+P235-P405-P501
- Hazardous Material transportation number:UN 1986 3/PG 3
- WGK Germany:3
- Hazard Category Code: 10-23/24/25
- Safety Instruction: S16-S36/37/39-S45
- RTECS:SC4758500
-
Hazardous Material Identification:
- HazardClass:3
- PackingGroup:III
- Safety Term:3
- Packing Group:III
- Risk Phrases:R10; R36/37/38
- Packing Group:III
- Hazard Level:3
- Storage Condition:Flammable area
Ethyl ethynyl carbinol Customs Data
- HS CODE:2905290000
- Customs Data:
China Customs Code:
2905290000Overview:
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 >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | P859962-25g |
1-Pentyn-3-OL |
4187-86-4 | ≥95% | 25g |
1,287.00 | 2021-05-17 | |
| Fluorochem | 164300-1g |
1-Pentyn-3-ol |
4187-86-4 | 97% | 1g |
£65.00 | 2022-02-28 | |
| Fluorochem | 164300-10g |
1-Pentyn-3-ol |
4187-86-4 | 97% | 10g |
£133.00 | 2022-02-28 | |
| TRC | P227568-50mg |
1-Pentyn-3-ol |
4187-86-4 | 50mg |
$ 50.00 | 2022-06-03 | ||
| TRC | P227568-100mg |
1-Pentyn-3-ol |
4187-86-4 | 100mg |
$ 65.00 | 2022-06-03 | ||
| TRC | P227568-500mg |
1-Pentyn-3-ol |
4187-86-4 | 500mg |
$ 115.00 | 2022-06-03 | ||
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | P90640-25g |
1-Pentyn-3-ol |
4187-86-4 | 95% | 25g |
¥401.0 | 2024-07-19 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | P90640-5g |
1-Pentyn-3-ol |
4187-86-4 | 95% | 5g |
¥86.0 | 2024-07-19 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | P90640-1g |
1-Pentyn-3-ol |
4187-86-4 | 95% | 1g |
¥29.0 | 2024-07-19 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R054820-1g |
Ethyl ethynyl carbinol |
4187-86-4 | ≥95% | 1g |
¥27 | 2024-05-23 |
Ethyl ethynyl carbinol Related Literature
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1. Convenient syntheses of chiral 3-substituted 2-ethynylaziridinesHiroaki Ohno,Ayako Toda,Yoshiji Takemoto,Nobutaka Fujii,Toshiro Ibuka J. Chem. Soc. Perkin Trans. 1 1999 2949
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Chung Yuan Chen,Kwan-Liang Kuo,Je-Wei Fan J. Environ. Monit. 2012 14 181
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Shrestha Chatterjee,Ranjan Kumar Acharyya,Pratik Pal,Samik Nanda Org. Biomol. Chem. 2022 20 2473
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Nino Malic,Cornelis Moorhoff,Valerie Sage,Dilek Saylik,Euneace Teoh,Janet L. Scott,Christopher R. Strauss New J. Chem. 2010 34 398
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5. Asymmetric reduction of ethynyl ketones and ethynylketoesters by secondary alcohol dehydrogenase from Thermoanaerobacter ethanolicusChristian Heiss,Robert S. Phillips J. Chem. Soc. Perkin Trans. 1 2000 2821
Related Categories
- Solvents and Organic Chemicals Organic Compounds Organic oxygen compounds Organooxygen compounds Secondary alcohols
- Solvents and Organic Chemicals Organic Compounds Organic oxygen compounds Organooxygen compounds Alcohols and polyols Secondary alcohols
- Solvents and Organic Chemicals Organic Compounds Alcohol/Ether
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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