Hexane, 1,1'-[ethylidenebis(oxy)]bis-

Base Information

• Chemical Name: Hexane, 1,1'-[ethylidenebis(oxy)]bis-
• CAS No.: 5405-58-3
• Molecular Formula: C14H30 O2
• Molecular Weight: 230.391
• Hs Code.: 2909199090
• European Community (EC) Number: 226-458-3
• NSC Number: 5187
• UNII: ID3N39457D
• DSSTox Substance ID: DTXSID2063842
• Nikkaji Number: J97.284C
• Wikidata: Q63395475
• Metabolomics Workbench ID: 48302
• Mol file: 5405-58-3.mol

Synonyms:5405-58-3;ACETALDEHYDE DI-N-HEXYL ACETAL;1-(1-hexoxyethoxy)hexane;Acetaldehyde, dihexyl acetal;Hexane, 1,1'-[ethylidenebis(oxy)]bis-;1,1-Dihexyloxyethane;Ethylidenebis(oxy)dihexane;ACETALDEHYDE DIHEXYLACETAL;1,1-Di(hexyloxy)ethane;acetaldehyde dihexyl acetal;Hexane, 1,1'-(ethylidenebis(oxy))bis-;1-[1-(Hexyloxy)ethoxy]hexane;1,1-BIS(HEXYLOXY)ETHANE;ID3N39457D;NSC 5187;NSC-5187;EINECS 226-458-3;1-(1-(hexyloxy)ethoxy)hexane;1,1'-(Ethylidenebis(oxy))bis-Hexane;1,1'-[Ethylidenebis(oxy)]bis-Hexane;1,1-Dihexoxyethan;SCHEMBL873400;UNII-ID3N39457D;DTXSID2063842;NSC5187;CHEBI:178469;1-[1-(Hexyloxy)ethoxy]hexane #;Acetaldehyde, dihexyl acetal (8CI);Hexane,1'-[ethylidenebis(oxy)]bis-;MFCD00051715;AKOS017343135;ALPHA,BETA-GLUCOOCTANOICGAMMA-LACTONE;FT-0606122;1,1'-[Ethylidenebis(oxy)]bis[hexane], 9CI;1,1'-(ETHYLIDENEBIS(OXY))BIS(HEXANE);Q63395475

Chemical Property of Hexane, 1,1'-[ethylidenebis(oxy)]bis-

Chemical Property:

• Vapor Pressure: 0.0234mmHg at 25°C
• Boiling Point: 257.4°Cat760mmHg
• Flash Point: 67.4°C
• PSA: 18.46000
• Density: 0.844g/cm³
• LogP: 4.52620
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 12
• Exact Mass: 230.224580195
• Heavy Atom Count: 16
• Complexity: 112

Purity/Quality:

99% ^*data from raw suppliers

ACETALDEHYDE DI-N-HEXYL ACETAL 95.00% ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCOC(C)OCCCCCC

Technology Process of Hexane, 1,1'-[ethylidenebis(oxy)]bis-

There total 5 articles about Hexane, 1,1'-[ethylidenebis(oxy)]bis- 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: 96.0%

trimethylsilylacetylene (1066-54-2) + hexan-1-ol (111-27-3) → 7,9-dioxa-8-methylpentadecane (5405-58-3)

Guidance literature:

With C₃₁H₄₉AuNP⁽¹⁺⁾*F₆Sb^(1-); In dichloromethane; at 110 ℃; for 5h; under 2250.23 Torr; Inert atmosphere;

DOI:10.1002/chem.202000420

Reference yield: 69.0%

1-(2-ethoxyethoxy)hexane (32657-43-5) → 7,9-dioxa-8-methylpentadecane (5405-58-3)

Guidance literature:

With toluene-4-sulfonic acid; In toluene; for 1h; Heating;

DOI:10.1021/jo00327a032

Reference yield:

hexan-1-ol (111-27-3) → 7,9-dioxa-8-methylpentadecane (5405-58-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 66 percent / p-TsOH / diethyl ether / 0.5 h / Ambient temperature

2: 69 percent / p-TsOH / toluene / 1 h / Heating

With toluene-4-sulfonic acid; In diethyl ether; toluene;

DOI:10.1021/jo00327a032

upstream raw materials:

1-(2-ethoxyethoxy)hexane

acetaldehyde

hexan-1-ol

ethyl vinyl ether

Downstream raw materials:

dodecane

hexane

ethyl n-hexyl ether

1-hexyl acetate