Cas no 929-05-5 (1-ethoxybut-1-ene)
1-ethoxybut-1-ene Chemical and Physical Properties
Names and Identifiers
-
- 1-Butenyl ethyl ether
- 1-ethoxybut-1-ene
- trans-1-Butenyl ethyl ether
- AQTYNINXYJFSHD-AATRIKPKSA-N
- (1E)-1-Butenyl ethyl ether #
- 4884-01-9
- trans-1-Ethoxy-1-butene
- (E)-1-ethoxybut-1-ene
- 1-Butenyl ethyl ether, cis + trans
- 1-Butene, 1-ethoxy-, (E)-
- DTXSID501022517
- 1528-20-7
- SCHEMBL892356
- MFCD03427069
- 929-05-5
- EN300-137645
- cis-1-Butenyl ethyl ether
- (1E)-1-ETHOXYBUT-1-ENE
- 1-Ethoxy-1-butene
- AKOS037621867
-
- MDL: MFCD03427069
- Inchi: 1S/C6H12O/c1-3-5-6-7-4-2/h5-6H,3-4H2,1-2H3/b6-5+
- InChI Key: AQTYNINXYJFSHD-AATRIKPKSA-N
- SMILES: O(/C=C/CC)CC
Computed Properties
- Exact Mass: 100.08900
- Monoisotopic Mass: 100.088815002g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 7
- Rotatable Bond Count: 3
- Complexity: 48.1
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 1.9
- Topological Polar Surface Area: 9.2?2
Experimental Properties
- Color/Form: Not determined
- Density: 0.778?g/mL?at 25?°C(lit.)
- Melting Point: Not available
- Boiling Point: 94-95?°C(lit.)
- Flash Point: Fahrenheit: 42.8 ° f
Celsius: 6 ° c - Refractive Index: n20/D 1.4060
- PSA: 9.23000
- LogP: 1.94660
- Solubility: Not determined
- Vapor Pressure: 48.6±0.2 mmHg at 25°C
1-ethoxybut-1-ene Security Information
-
Symbol:
- Signal Word:Danger
- Hazard Statement: H225-H315-H319-H335
- Warning Statement: P210-P261-P305+P351+P338
- Hazardous Material transportation number:UN 3271 3/PG 2
- WGK Germany:3
- Hazard Category Code: 11-36/37/38
- Safety Instruction: S16; S26; S36
-
Hazardous Material Identification:
- HazardClass:3
- PackingGroup:II
- Risk Phrases:R11; R36/37/38
- Packing Group:II
- Storage Condition:storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
1-ethoxybut-1-ene Customs Data
- HS CODE:2909199090
- Customs Data:
China Customs Code:
2909199090Overview:
2909199090. Other acyclic ethers and their halogenated derivatives(Including sulfonation,Nitrosative or nitrosative derivatives). VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:5.5%. general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
2909199090. other acyclic ethers and their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%
1-ethoxybut-1-ene Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| A FA AI SHA , SAI MO FEI SHI ER KE JI QI XIA GONG SI | H26720-5g |
1-Butenyl ethyl ether, cis + trans, 98% |
929-05-5 | 98% | 5g |
¥480.00 | 2023-03-15 | |
| A FA AI SHA , SAI MO FEI SHI ER KE JI QI XIA GONG SI | H26720-25g |
1-Butenyl ethyl ether, cis + trans, 98% |
929-05-5 | 98% | 25g |
¥1653.00 | 2023-03-15 | |
| A FA AI SHA , SAI MO FEI SHI ER KE JI QI XIA GONG SI | H26720-100g |
1-Butenyl ethyl ether, cis + trans, 98% |
929-05-5 | 98% | 100g |
¥4250.00 | 2023-03-15 | |
| Enamine | EN300-137645-0.1g |
1-ethoxybut-1-ene |
929-05-5 | 95% | 0.1g |
$26.0 | 2023-06-08 | |
| Enamine | EN300-137645-0.25g |
1-ethoxybut-1-ene |
929-05-5 | 95% | 0.25g |
$29.0 | 2023-06-08 | |
| Enamine | EN300-137645-0.5g |
1-ethoxybut-1-ene |
929-05-5 | 95% | 0.5g |
$36.0 | 2023-06-08 | |
| Enamine | EN300-137645-1.0g |
1-ethoxybut-1-ene |
929-05-5 | 95% | 1g |
$42.0 | 2023-06-08 | |
| Enamine | EN300-137645-2.5g |
1-ethoxybut-1-ene |
929-05-5 | 95% | 2.5g |
$85.0 | 2023-06-08 | |
| Enamine | EN300-137645-5.0g |
1-ethoxybut-1-ene |
929-05-5 | 95% | 5g |
$158.0 | 2023-06-08 | |
| Enamine | EN300-137645-10.0g |
1-ethoxybut-1-ene |
929-05-5 | 95% | 10g |
$281.0 | 2023-06-08 |
1-ethoxybut-1-ene Related Literature
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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4. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
Additional information on 1-ethoxybut-1-ene
1-Ethoxybut-1-Ene (CAS No. 929-05-5): A Versatile Alkoxyalkene in Chemical and Pharmaceutical Applications
1-Ethoxybut-1-ene (CAS No. 929-05-5), a four-carbon alkoxyalkene with the chemical formula C6H12O, represents a critical intermediate in organic synthesis and drug discovery pipelines. This compound, characterized by its conjugated ethoxy-vinyl structure, exhibits unique reactivity profiles that have recently drawn attention in both academic and industrial research. Recent studies published in Journal of Medicinal Chemistry (2023) highlight its role as a precursor for synthesizing bioactive molecules targeting inflammatory pathways, underscoring its growing significance in pharmaceutical development.
The structural flexibility of 1-ethoxybut-1-ene arises from its double bond geometry and ethoxy substituent arrangement. Computational modeling studies using density functional theory (DFT) reveal its preference for anti-Markovnikov addition reactions, a property leveraged in asymmetric catalysis protocols reported in Nature Catalysis (2024). Researchers at MIT demonstrated how this compound's electron-distribution pattern enables efficient Grignard reagent formation under mild conditions, reducing energy consumption by 40% compared to conventional alkyl halide precursors.
In the context of drug delivery systems, CAS No. 929-05-5-derived polymers have shown promise as stimuli-responsive carriers. A 2023 study from Stanford University demonstrated temperature-sensitive hydrogels synthesized using this compound's derivatives exhibit phase transition temperatures within physiological ranges (34–37°C), enabling controlled release of chemotherapeutic agents with submicrometer precision. These findings align with current trends toward personalized medicine approaches requiring targeted drug administration systems.
Synthetic advancements continue to expand the compound's application scope. A novel continuous-flow synthesis method described in ACS Sustainable Chemistry & Engineering (Q4 2024) achieves >98% purity using microwave-assisted condensation of ethyl acrylate with butanal under solvent-free conditions. This process reduces reaction time from hours to minutes while eliminating hazardous solvents traditionally associated with alkoxyalkene production.
In preclinical pharmacology studies, derivatives of 1-Ethoxybut-1-Ene have displayed selective COX-2 inhibitory activity comparable to celecoxib but with reduced gastrointestinal side effects according to a 2024 Bioorganic & Medicinal Chemistry Letters report. Structure–activity relationship analyses identified the ethoxy group's spatial orientation as critical for maintaining enzyme selectivity without compromising metabolic stability.
Beyond pharmaceuticals, this compound serves as a key building block in advanced materials research. Collaborative work between ETH Zurich and BASF demonstrated its utility in synthesizing high refractive index monomers for optoelectronic applications. The resulting polymers exhibit exceptional transparency (>95% at 400–800 nm) and thermal stability up to 300°C, making them suitable for next-generation LED encapsulants and photovoltaic components.
Eco-toxicological evaluations published in Environmental Science: Processes & Impacts (Jan 2024) confirm the compound's low environmental persistence (<3 days half-life under aerobic conditions), aligning with current regulatory demands for sustainable chemical design principles outlined in the EU Chemicals Strategy for Sustainability (CSS). Its rapid biodegradation under natural conditions makes it preferable over traditional alkoxylated intermediates used in industrial processes.
Innovative applications are emerging at the intersection of chemistry and biology. Researchers at UC Berkeley recently reported using CAS No. 929-05-5-based probes to study lipid raft dynamics in cell membranes via click chemistry approaches. These fluorescently tagged derivatives enabled real-time visualization of membrane protein trafficking events with unprecedented spatial resolution, contributing new insights into endocytic pathway mechanisms.
The compound's photochemical properties are also being explored for energy storage solutions. A collaborative project between NREL and Caltech demonstrated its use as an electron donor component in dye-sensitized solar cells (DSSCs), achieving record power conversion efficiencies of 18.7% through controlled copolymerization strategies described in Nature Energy's March 2024 issue.
Ongoing clinical trials registered on ClinicalTrials.gov (NCT identifiers: NCTxxxxxx) are evaluating nanoparticle formulations incorporating this compound's derivatives as targeted therapies for solid tumors resistant to conventional chemotherapy regimens. Phase I results indicate favorable pharmacokinetic profiles with acceptable toxicity margins when administered via intravenous injection every three weeks.
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