ISOBUTYRALDEHYDE DIETHYL ACETAL

Base Information

• Chemical Name: ISOBUTYRALDEHYDE DIETHYL ACETAL
• CAS No.: 1741-41-9
• Molecular Formula: C8H18O2
• Molecular Weight: 146.23
• Hs Code.: 2911000000
• European Community (EC) Number: 217-107-5
• DSSTox Substance ID: DTXSID1061940
• Nikkaji Number: J103.155D
• Wikidata: Q81989758
• Mol file: 1741-41-9.mol

Synonyms:2-Methylpropanal diethyl acetal;1,1-Diethoxy-2-methylpropane;Isobutyraldehyde, diethyl acetal;

Chemical Property of ISOBUTYRALDEHYDE DIETHYL ACETAL

Chemical Property:

• Vapor Pressure: 8.53mmHg at 25°C
• Refractive Index: 1.403
• Boiling Point: 138 °C at 760 mmHg
• Flash Point: 22.9 °C
• PSA: 18.46000
• Density: 0.84 g/cm³
• LogP: 2.04150
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 146.130679813
• Heavy Atom Count: 10
• Complexity: 65.7

Purity/Quality:

98%,99%, ^*data from raw suppliers

Isobutyraldehyde Diethyl Acetal >96.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38-10-43
• Safety Statements: 26-36/37/39-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(C(C)C)OCC

Technology Process of ISOBUTYRALDEHYDE DIETHYL ACETAL

There total 12 articles about ISOBUTYRALDEHYDE DIETHYL ACETAL 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: 85.0%

ethanol (64-17-5) + isobutyraldehyde (78-84-2) → isobutyraldehyde diethyl acetal (1741-41-9)

Guidance literature:

With ruthenium trichloride; at 20 ℃; for 10h;

DOI:10.1016/j.tetlet.2004.08.112

Reference yield: 78.0%

isobutyraldehyde (78-84-2) + orthoformic acid triethyl ester (122-51-0) → isobutyraldehyde diethyl acetal (1741-41-9)

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: 78.0%

Triethoxysilane (998-30-1) + isobutyraldehyde (78-84-2) → isobutyraldehyde diethyl acetal (1741-41-9)

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

upstream raw materials:

tetraethoxy orthosilicate

isobutyraldehyde

ethanol

orthoformic acid triethyl ester

Downstream raw materials:

ethanol

1-ethoxy-2-methylpropene

2-bromo-2-methylpropanal

2-bromo-1,1-diethoxy-2-methyl-propane

Refernces

• 1、 Fan, Wenlai,Qian, Michael C.. "Characterization of aroma compounds of Chinese "Wuliangye" and "Jiannanchun" liquors by aroma extract dilution analysis". . p. 2695 - 2704. Retrieved 2007/10/03.
• 2、 Kroshtal', G. V.,Dvorzhak, D.,Arnold, Z.,Yanovskaya, L. A.. "A RAPID MEANS FOR THE SYNTHESIS OF ALDEHYDE ACETALS". . p. 838 - 840. Retrieved 2007/10/02.