Acetaldehyde diisoamyl acetal

Base Information

• Chemical Name: Acetaldehyde diisoamyl acetal
• CAS No.: 13002-09-0
• Molecular Formula: C12H26 O2
• Molecular Weight: 202.337
• Hs Code.: 2909199090
• European Community (EC) Number: 235-839-3
• UNII: C34X3NFO1A
• DSSTox Substance ID: DTXSID80156296
• Nikkaji Number: J191.938E
• Wikidata: Q27275123
• Metabolomics Workbench ID: 45296
• Mol file: 13002-09-0.mol

Synonyms:13002-09-0;acetaldehyde diisoamyl acetal;1-(1-(Isopentyloxy)ethoxy)-3-methylbutane;3-methyl-1-[1-(3-methylbutoxy)ethoxy]butane;Acetaldehyde di(3-methylbutyl) acetal;1,1'-(Ethylidenebis(oxy))bis(3-methylbutane);UNII-C34X3NFO1A;C34X3NFO1A;1,1-Bis(isopentyloxy)ethane;1,1-Di-3-methylbutoxyethane;EINECS 235-839-3;1,1/'-(Ethylidenebis(oxy))bis(3-methylbutane);Butane, 1,1'-(ethylidenebis(oxy))bis(3-methyl-;Butane, 1,1'-[ethylidenebis(oxy)]bis[3-methyl-;1,1'-[ethylidenebis(oxy)]bis(3-methylbutane);1,1-diisopentyloxy-ethane;1,1-Di(isopentyloxy)ethane;1,1-Bis(isopentyloxy)-Ethane;1-di-(3-methylbutoxy)-ethane;SCHEMBL3269649;FEMA NO. 4024;DTXSID80156296;CHEBI:178467;ACETALDEHYDEDI-ISOAMYLACETAL;AKOS015902259;ACETALDEHYDE, DIISOPENTYL ACETAL;ETHANE, 1,1-BIS(ISOPENTYLOXY)-;acetaldehyde di-isoamyl acetal, AldrichCPR;ACETALDEHYDE DIISOAMYL ACETAL [FHFI];3-Methyl-1-[1-(3-methylbutoxy)ethoxy]-Butane;Acetaldehyde, diisopentyl acetal (6CI,7CI,8CI);Q27275123;Butane, 1,1'-[ethylidenebis(oxy)]bis[3-methyl- (9CI);BUTANE, 3-METHYL-1-(1-(3-METHYLBUTOXY)ETHOXY)-

Chemical Property of Acetaldehyde diisoamyl acetal

Chemical Property:

• Boiling Point: 99.3 °C
• Flash Point: 49.5oC
• PSA: 18.46000
• Density: 0.8290 g/cm3
• LogP: 3.45780
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 202.193280068
• Heavy Atom Count: 14
• Complexity: 108

Purity/Quality:

99% ^*data from raw suppliers

1,1'-(ETHYLIDENEBIS(OXY))BIS-(3-METHYLBUTANE) 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CCOC(C)OCCC(C)C

Technology Process of Acetaldehyde diisoamyl acetal

There total 4 articles about Acetaldehyde diisoamyl 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:

i-Amyl alcohol (123-51-3) + acetaldehyde (75-07-0,9002-91-9) → 1,1-bis-(3-methyl-butoxy)-ethane (13002-09-0)

Guidance literature:

With sulfur dioxide; acetic acid; at 80 ℃;

Reference yield:

i-Amyl alcohol (123-51-3) + acetylene (74-86-2,25067-58-7) → 1,1-bis-(3-methyl-butoxy)-ethane (13002-09-0)

Guidance literature:

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

DOI:10.1021/ja01370a049

Reference yield:

i-Amyl alcohol (123-51-3) + 3-methyl-1-vinyloxybutane (39782-38-2) → 1,1-bis-(3-methyl-butoxy)-ethane (13002-09-0)

Guidance literature:

With hydrogenchloride; zuletzt in der Siedehitze;

upstream raw materials:

i-Amyl alcohol

3-methyl-1-vinyloxybutane

acetaldehyde

paracetaldehyde

Downstream raw materials:

3-methyl-1-vinyloxybutane