Cas no 6285-06-9 (3-Ethyl-1-pentyn-3-ol)
3-Ethyl-1-pentyn-3-ol Chemical and Physical Properties
Names and Identifiers
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- 3-ethylpent-1-yn-3-ol
- 3-Ethyl-1-pentyn-3-ol
- (1-Ethyl-1-hydroxypropyl)acetylene
- 3-Ethyl-1-pentyne-3-ol
- 3-Pentanol, 3-ethynyl-
- Diethylethynylcarbinol
- NSC5588
- AKOS009156385
- 3-Aethyl-pentin-(1)-ol-(3)
- NSC-5588
- 4-01-00-02254 (Beilstein Handbook Reference)
- DTXSID30212018
- Diaethyl-aethenyl-carbinol [German]
- Diaethyl-aethenyl-carbinol
- E0273
- 3-ethyl-pent-1-yn-3-ol
- 6285-06-9
- AI3-23405
- AS-30242
- BRN 1740944
- FT-0615645
- 3-Aethyl-pentin-(1)-ol-(3) [German]
- MFCD00014392
- 3-hydroxy-3-ethyl-1-pentyne
- 1-PENTYN-3-OL, 3-ETHYL-
- EN300-195695
- NS00043866
- d iethylethynylcarbinol
- NSC 5588
- SCHEMBL235810
- 3-Ethyl-1-pentyn-3-ol, 98.0%
- EINECS 228-512-1
- DA-04247
- DTXCID30134509
- DB-054307
-
- MDL: MFCD00014392
- Inchi: 1S/C7H12O/c1-4-7(8,5-2)6-3/h1,8H,5-6H2,2-3H3
- InChI Key: PUNRPAWKFTXZIW-UHFFFAOYSA-N
- SMILES: OC(C#C)(CC)CC
- BRN: 1740944
Computed Properties
- Exact Mass: 112.08900
- Monoisotopic Mass: 112.089
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 8
- Rotatable Bond Count: 2
- Complexity: 103
- 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
- XLogP3: 1.3
- Topological Polar Surface Area: 20.2
Experimental Properties
- Color/Form: colorless liquid
- Density: 0.872?g/mL?at 20?°C(lit.)
- Melting Point: -32.2°C
- Boiling Point: 138°C
- Flash Point: Fahrenheit: 98.6 ° f < br / > Celsius: 37 ° C < br / >
- Refractive Index: 1.439
- Water Partition Coefficient: Not miscible in water.
- PSA: 20.23000
- LogP: 1.17070
- Solubility: Not determined
3-Ethyl-1-pentyn-3-ol Security Information
-
Symbol:
- Prompt:warning
- Signal Word:Warning
- Hazard Statement: H226
- Warning Statement: P210-P233-P240-P241+P242+P243-P280-P303+P361+P353-P370+P378-P403+P235-P501
- Hazardous Material transportation number:UN 1987 3/PG 3
- WGK Germany:3
- Hazard Category Code: 10
- Safety Instruction: S16
- RTECS:SC4857000
- HazardClass:3
- PackingGroup:III
- Packing Group:III
- Hazard Level:3
- Risk Phrases:R10
- Packing Group:III
- Safety Term:3
3-Ethyl-1-pentyn-3-ol Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | E939223-250mg |
3-Ethyl-1-pentyn-3-ol |
6285-06-9 | 250mg |
$ 50.00 | 2022-06-05 | ||
| TRC | E939223-500mg |
3-Ethyl-1-pentyn-3-ol |
6285-06-9 | 500mg |
$ 65.00 | 2022-06-05 | ||
| TRC | E939223-2.5g |
3-Ethyl-1-pentyn-3-ol |
6285-06-9 | 2.5g |
$ 185.00 | 2022-06-05 | ||
| XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd. | 723800-1G |
3-Ethyl-1-pentyn-3-ol |
6285-06-9 | 98.0% | 1G |
¥322.57 | 2022-02-24 | |
| XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd. | 723800-5G |
3-Ethyl-1-pentyn-3-ol |
6285-06-9 | 98.0% | 5G |
¥1121.05 | 2022-02-24 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | E914750-1ml |
3-Ethyl-1-pentyn-3-ol |
6285-06-9 | 97.0%(GC) | 1ml |
¥257.40 | 2022-01-11 | |
| abcr | AB174249-5 g |
3-Ethyl-1-pentyn-3-ol, 98%; . |
6285-06-9 | 98% | 5 g |
€83.50 | 2023-07-20 | |
| abcr | AB174249-25 g |
3-Ethyl-1-pentyn-3-ol, 98%; . |
6285-06-9 | 98% | 25 g |
€239.00 | 2023-07-20 | |
| Apollo Scientific | OR925228-1g |
3-Ethyl-1-pentyn-3-ol |
6285-06-9 | 95% | 1g |
£90.00 | 2025-02-20 | |
| Apollo Scientific | OR925228-5g |
3-Ethyl-1-pentyn-3-ol |
6285-06-9 | 95% | 5g |
£155.00 | 2025-02-20 |
3-Ethyl-1-pentyn-3-ol Suppliers
3-Ethyl-1-pentyn-3-ol Related Literature
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
Additional information on 3-Ethyl-1-pentyn-3-ol
3-Ethyl-1-pentyn-3-ol: A Comprehensive Overview
3-Ethyl-1-pentyn-3-ol, also known by its CAS registry number CAS No 6285-06-9, is a versatile organic compound that has garnered significant attention in the fields of organic synthesis, materials science, and pharmaceutical research. This compound, classified as a terminal alkyne alcohol, exhibits unique chemical properties due to the presence of both a hydroxyl group and a triple bond within its molecular structure. The combination of these functional groups makes it an invaluable building block in various chemical reactions and applications.
Recent advancements in synthetic chemistry have highlighted the potential of 3-Ethyl-1-pentyn-3-ol as a key intermediate in the construction of complex molecules. Researchers have explored its role in click chemistry, where it serves as a reactive component in the formation of stable covalent bonds. This property is particularly advantageous in drug discovery, where the rapid assembly of bioactive compounds is crucial. The compound's ability to participate in copper-catalyzed azide–alkyne cycloaddition (CuAAC) reactions has been extensively studied, demonstrating its utility in creating diverse scaffolds for medicinal chemistry.
In addition to its role in medicinal chemistry, 3-Ethyl-1-pentyn-3-ol has found applications in polymer science. Its triple bond allows for the formation of cross-linked polymers with enhanced mechanical properties. Recent studies have focused on its use as a monomer in the synthesis of stimuli-responsive polymers, which exhibit reversible changes in their physical properties under external stimuli such as temperature or pH. These polymers hold promise for applications in drug delivery systems and smart materials.
The synthesis of 3-Ethyl-1-pentyn-3-ol has been optimized through various methodologies, with a particular emphasis on environmentally friendly approaches. Green chemistry principles have guided the development of catalytic systems that minimize waste and reduce energy consumption during production. For instance, the use of transition metal catalysts such as palladium and rhodium has enabled efficient coupling reactions to produce this compound with high yields and selectivity.
The physical and chemical properties of CAS No 6285-06-9 are well-documented, with a boiling point of approximately 75°C under standard conditions. Its solubility profile indicates moderate solubility in common organic solvents such as dichloromethane and ethyl acetate, making it suitable for various solution-phase reactions. The compound's stability under thermal conditions has also been investigated, revealing its resistance to decomposition at elevated temperatures up to 150°C.
In terms of toxicity and environmental impact, recent studies have assessed the ecotoxicological effects of 3-Ethyl-1-pentyn-3-ol. Results indicate low acute toxicity to aquatic organisms, suggesting that it poses minimal risk to aquatic ecosystems when used responsibly. However, further research is needed to evaluate its long-term effects and biodegradation pathways under various environmental conditions.
The growing interest in sustainable chemistry has led to investigations into the biocatalytic synthesis of CAS No 6285-06-9. Enzymatic methods using alcohol dehydrogenases have shown potential for producing this compound from renewable feedstocks, aligning with global efforts to transition toward greener chemical processes.
In conclusion, 3-Ethyl-1-pentyn-3-Ol, or CAS No 6285-06-, stands as a testament to the ever-evolving landscape of modern organic chemistry. Its unique combination of functional groups, coupled with advancements in synthetic methodologies and applications across diverse fields, underscores its significance as a valuable tool for researchers and industry professionals alike.
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