1,1-Dimethoxyoctane

Base Information

• Chemical Name: 1,1-Dimethoxyoctane
• CAS No.: 10022-28-3
• Molecular Formula: C10H22O2
• Molecular Weight: 174.283
• Hs Code.: 2911000000
• European Community (EC) Number: 233-018-4
• UNII: OD5I84ZHFV
• DSSTox Substance ID: DTXSID1047520
• Nikkaji Number: J60.727D
• Wikidata: Q27285585
• Metabolomics Workbench ID: 48953
• Mol file: 10022-28-3.mol

Synonyms:octanal dimethyl acetal

Chemical Property of 1,1-Dimethoxyoctane

Chemical Property:

• Appearance/Colour: COA
• Vapor Pressure: 1.15E-13mmHg at 25°C
• Refractive Index: n20/D 1.416(lit.)
• Boiling Point: 195.4 °C at 760 mmHg
• Flash Point: 48.3 °C
• PSA: 18.46000
• Density: 0.843 g/cm³
• LogP: 2.96580
• Storage Temp.: Inert atmosphere,Room Temperature
• Water Solubility.: 210.5mg/L at 24℃
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 174.161979940
• Heavy Atom Count: 12
• Complexity: 79.9

Purity/Quality:

99% ^*data from raw suppliers

n-Octanal Dimethyl Acetal >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCCC(OC)OC
• General Description: 1,1-Dimethoxyoctane, also known as octanal dimethyl acetal, is a dimethyl acetal derivative of octanal, formed through the acetalization of aldehydes with methanol. 1,1-Dimethoxyoctane is typically synthesized under mild conditions using efficient catalytic systems, such as siliceous mesoporous materials, lithium tetrafluoroborate, or palladium-based catalysts, which enable high yields (90–100%) at ambient or refluxing temperatures. The acetalization process is compatible with various substrates, including linear aldehydes, and offers selectivity and ease of recovery in some catalytic systems. The resulting 1,1-dimethoxyoctane serves as a protected form of the aldehyde, useful in synthetic chemistry to prevent unwanted reactions of the carbonyl group.

Technology Process of 1,1-Dimethoxyoctane

There total 19 articles about 1,1-Dimethoxyoctane 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: 100.0%

Octanal (124-13-0) + trimethyl orthoformate (149-73-5) → 1,1-dimethoxyoctane (10022-28-3)

Guidance literature:

With lithium tetrafluoroborate; In methanol; for 0.5h; Heating;

DOI:10.1055/s-2004-820038

Reference yield: 99.0%

methanol (67-56-1) + Octanal (124-13-0) → 1,1-dimethoxyoctane (10022-28-3)

Guidance literature:

With samarium(III) trifluoromethanesulfonate; at 20 ℃; for 0.0833333h;

DOI:10.1016/S0040-4039(99)02051-1

Reference yield: 99.0%

methanol (67-56-1) + Octanal (124-13-0) + hexyl-methyl-ketone (111-13-7) → 1,1-dimethoxyoctane (10022-28-3) + rac-octan-2-ol (4128-31-8,113301-48-7,4128-32-9)

Guidance literature:

methanol; Octanal; hexyl-methyl-ketone; With Ru_nanoHAP; at 30 ℃; for 0.5h; Flow reactor; Inert atmosphere;

With hydrogen; at 40 ℃; for 1h; under 760.051 Torr; Flow reactor;

DOI:10.1039/c3gc41322e

upstream raw materials:

methanol

2,4,6-triheptyl-1,3,5-trioxane

triethyl-(3-hexyl-oxiranyl)-silane

1,1-dichlorooctane

Downstream raw materials:

1-methoxy-1-(phenylseleno)octane

1,1-diphenylselenooctane

Octanal

(Z)-1-methoxy-oct-1-ene