Acetaldehyde di-isobutylacetal

Base Information

• Chemical Name: Acetaldehyde di-isobutylacetal
• CAS No.: 5669-09-0
• Molecular Formula: C10H22 O2
• Molecular Weight: 174.283
• European Community (EC) Number: 227-129-7
• UNII: 1K100428BB
• DSSTox Substance ID: DTXSID70205247
• Nikkaji Number: J102.466C
• Wikidata: Q27252515
• Mol file: 5669-09-0.mol

Synonyms:Acetaldehyde di-isobutylacetal;5669-09-0;Acetaldehyde, diisobutyl acetal;2-methyl-1-[1-(2-methylpropoxy)ethoxy]propane;1,1-diisobutoxyethane;UNII-1K100428BB;1,1'-[ethylidenebis(oxy)]bis[2-methylpropane];EINECS 227-129-7;Propane, 1,1'-[ethylidenebis(oxy)]bis[2-methyl-;1K100428BB;Acetaldehyde di(2-methylpropyl) acetal;1-(1-Isobutoxyethoxy)-2-methylpropane;AI3-22521;1,1'-(Ethylidenebis(oxy))bis(2-methylpropane);Propane, 1,1'-(ethylidenebis(oxy))bis(2-methyl-;acetaldehyde diisobutylacetal;Diisobutyl acetal;starbld0045054;ethanediol diisobutyl ether;Ethane, 1,1-diisobutyloxy;acetaldehyde diisobutyl acetal;SCHEMBL1572578;FEMA NO. 4527;KIELJSVPUISYCI-UHFFFAOYSA-;DTXSID70205247;ETHANE, 1,1-DIISOBUTOXY-;2,5,8-Trimethyl-4,6-dioxanonane;AKOS006294332;1-(1-Isobutoxyethoxy)-2-methylpropane #;Propane, 1,1'-[ethylidenebis(oxy)]bis*2-methyl-;1-(1-isobutoxyethoxy)-2-methylpropane, AldrichCPR;Q27252515

Chemical Property of Acetaldehyde di-isobutylacetal

Chemical Property:

• Refractive Index: 1.4021 (estimate)
• Boiling Point: 177.8°Cat760mmHg
• Flash Point: 35.9°C
• PSA: 18.46000
• Density: 0.84g/cm³
• LogP: 2.67760
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 174.161979940
• Heavy Atom Count: 12
• Complexity: 88

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)COC(C)OCC(C)C

Technology Process of Acetaldehyde di-isobutylacetal

There total 11 articles about Acetaldehyde di-isobutylacetal 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:

isobutyl vinyl ether (109-53-5,9003-44-5) + 2,5,6-trimethylcyclohex-2-en-1-ol → 1,1-bis(isobutyloxy)-ethane (5669-09-0) + 6-(1-isobutoxyethoxy)-1,4,5-trimethylcyclohex-1-ene + 2-(2,4,5-trimethylcyclohex-2-en-1-yl)acetaldehyde

Guidance literature:

With phosphoric acid; at 150 ℃; for 5h; under 2250.23 - 3975.4 Torr; Inert atmosphere;

Reference yield:

2-methyl-propan-1-ol (78-83-1) + acetaldehyde (75-07-0,9002-91-9) → 1,1-bis(isobutyloxy)-ethane (5669-09-0)

Guidance literature:

With calcium chloride;

Reference yield:

2-methyl-propan-1-ol (78-83-1) + acetylene (74-86-2,25067-58-7) → 1,1-bis(isobutyloxy)-ethane (5669-09-0)

Guidance literature:

With boron trifluoride methanol complex; mercury(II) oxide;

DOI:10.1021/ja01370a049

upstream raw materials:

isobutyl vinyl ether

2-methyl-propan-1-ol

acetaldehyde

paracetaldehyde

Downstream raw materials:

2-methylpropyl acetate

isobutyl vinyl ether

Refernces

• 1、 -. "2-(2,4,5-TRIMETHYLCYCLOHEX-2-EN-1-YL)ACETALDEHYDE AND DERIVATIVES AND THEIR USE AS AROMA CHEMICALS". Page/Page column 74; 77-78. . Retrieved 2021/01/29.