1,1-Diethoxybutane

Base Information

• Chemical Name: 1,1-Diethoxybutane
• CAS No.: 3658-95-5
• Molecular Formula: C8H18O2
• Molecular Weight: 146.23
• Hs Code.: 29329990
• European Community (EC) Number: 222-913-5
• DSSTox Substance ID: DTXSID4063119
• Nikkaji Number: J103.156B
• Wikidata: Q72468889
• Mol file: 3658-95-5.mol

Synonyms:1,1-Diethoxybutane;3658-95-5;Butane, 1,1-diethoxy-;Butyraldehyde, diethyl acetal;BUTYRALDEHYDEDIETHYLACETAL;butyraldehyde diethylacetal;EINECS 222-913-5;BUTYRALDEHYDE DIETHYL ACETAL;Butylaldehyde diethyl acetal;SCHEMBL25722;n-Butyraldehyde diethyl acetal;DTXSID4063119;1,1-Diethoxybutane, AldrichCPR;MFCD00038316;AKOS006281628;FT-0623342;Butyraldehyde diethyl acetal, analytical standard;A823304

Chemical Property of 1,1-Diethoxybutane

Chemical Property:

• Appearance/Colour: Clear colorless liquid
• Vapor Pressure: 6.83mmHg at 25°C
• Refractive Index: 1.404
• Boiling Point: 142.999 °C at 760 mmHg
• Flash Point: 28.914 °C
• PSA: 18.46000
• Density: 0.841 g/cm³
• LogP: 2.18560
• Storage Temp.: Flammables area
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 146.130679813
• Heavy Atom Count: 10
• Complexity: 58.3

Purity/Quality:

99% ^*data from raw suppliers

Butyraldehyde diethyl acetal analytical standard ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 10-36/38
• Safety Statements: 26-37/39-16

MSDS Files:

Useful:

• Canonical SMILES: CCCC(OCC)OCC

Technology Process of 1,1-Diethoxybutane

There total 16 articles about 1,1-Diethoxybutane which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 96.0%

Triethoxysilane (998-30-1) + butyraldehyde (123-72-8) → 1,1-diethoxybutane (3658-95-5)

Guidance literature:

With 1-diphenylphosphino-8-triphenylstibonium-naphthalene triflate; In neat liquid; at 20 ℃; for 0.16h; Inert atmosphere; Schlenk technique; Green chemistry;

DOI:10.1039/c6gc03629e

Reference yield: 94.0%

butyraldehyde (123-72-8) + orthoformic acid triethyl ester (122-51-0) → 1,1-diethoxybutane (3658-95-5)

Guidance literature:

aminosulfonic acid; at 25 ℃; for 4h;

DOI:10.1081/SCC-200039314

Reference yield: 76.0%

ethanol (64-17-5) + butyraldehyde (123-72-8) → 1,1-diethoxybutane (3658-95-5)

Guidance literature:

With tetrabutylammonium perchlorate; at 25 ℃; for 1h; chemoselective reaction; Electrolysis;

DOI:10.1039/c9gc01554j

upstream raw materials:

triethyl orthobutyrate

tetraethoxy orthosilicate

butyraldehyde

diethyl sulphite

Downstream raw materials:

triethyl phosphate

butyraldehyde-(ethyl-pentyl-acetal)

methane

ethane

Refernces

• 1、 Moore, Cameron M.,Staples, Orion,Jenkins, Rhodri W.,Brooks, Ty J.,Semelsberger, Troy A.,Sutton, Andrew D.. "Acetaldehyde as an ethanol derived bio-building block: An alternative to Guerbet chemistry". supporting information. p. 169 - 174. Retrieved 2017/01/24.
• 2、 Sienkiewicz, Natalia,Strzelec, Krzysztof,Pospiech, Piotr,Cypryk, Marek,Szmechtyk, Tomasz. "New palladium catalyst immobilized on epoxy resin: Synthesis, characterization and catalytic activity". . p. 4 - 11. Retrieved 2016/04/05.