Hexanal dihexyl acetal

Base Information

• Chemical Name: Hexanal dihexyl acetal
• CAS No.: 33673-65-3
• Molecular Formula: C18H38 O2
• Molecular Weight: 286.499
• Hs Code.: 2909199090
• European Community (EC) Number: 251-631-5
• UNII: 89PUE1O508
• DSSTox Substance ID: DTXSID30187353
• Nikkaji Number: J260.957F
• Wikidata: Q27270055
• Metabolomics Workbench ID: 45421
• Mol file: 33673-65-3.mol

Synonyms:hexanal dihexyl acetal;1,1-Bis(hexyloxy)hexane;33673-65-3;1,1-dihexoxyhexane;Hexane, 1,1-bis(hexyloxy)-;EINECS 251-631-5;UNII-89PUE1O508;89PUE1O508;1,1-bis-(Hexyloxy)hexane;1,1-Bis(hexyloxy)-Hexane;SCHEMBL873033;FEMA NO. 4370;DTXSID30187353;HEXANAL DIHEXYL ACETAL [FHFI];FEMA NO. 4369, 1,1-DIHEXOXY-;Q27270055

Chemical Property of Hexanal dihexyl acetal

Chemical Property:

• Vapor Pressure: 0.0155mmHg at 25°C
• Boiling Point: 264.8°Cat760mmHg
• Flash Point: 49.6°C
• PSA: 18.46000
• Density: 0.845g/cm³
• LogP: 6.08660
• XLogP3: 7.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 16
• Exact Mass: 286.287180451
• Heavy Atom Count: 20
• Complexity: 157

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCOC(CCCCC)OCCCCCC

Technology Process of Hexanal dihexyl acetal

There total 6 articles about Hexanal dihexyl 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: 76.0%

hexan-1-ol (111-27-3) → 1,1-bis-(hexyloxy)hexane (33673-65-3)

Guidance literature:

With bis[dichloro(pentamethylcyclopentadienyl)iridium(III)]; C₁₈H₁₇N₂O₂P; In tetrahydrofuran; at 150 ℃; for 24h; Inert atmosphere; Schlenk technique;

DOI:10.1039/c6ra23946c

Reference yield:

hexan-1-ol (111-27-3) → n-hexyl caproate (6378-65-0) + 1,1-bis-(hexyloxy)hexane (33673-65-3) + hexanal (66-25-1)

Guidance literature:

With [RuHCl(CO)(4,5-bis(diisopropylphosphinomethyl)acridine)]; at 157 ℃; for 72h; Inert atmosphere;

Reference yield:

hexan-1-ol (111-27-3) → 1-(hexyloxy)hex-1-ene (33673-66-4) + n-hexyl caproate (6378-65-0) + 1,1-bis-(hexyloxy)hexane (33673-65-3) + hexanal (66-25-1)

Guidance literature:

With [RuHCl(CO)(4,5-bis(diisopropylphosphinomethyl)acridine)]; at 157 ℃; for 48h; Inert atmosphere;

upstream raw materials:

hexan-1-ol

Refernces

• 1、 Sahoo,Jiang,Bruneau,Sharma,Suresh,Achard. "Acetals from primary alcohols with the use of tridentate proton responsive phosphinepyridonate iridium catalysts". . p. 100554 - 100558. Retrieved 2016/11/09.
• 2、 Zhang, Hongxia,Zhu, Zhenping,Wu, Yupeng,Zhao, Tianjian,Li, Li. "TiO2-photocatalytic acceptorless dehydrogenation coupling of primary alkyl alcohols into acetals". . p. 4076 - 4080. Retrieved 2014/10/15.