Allyl N-hexyl ether

Base Information

• Chemical Name: Allyl N-hexyl ether
• CAS No.: 3295-94-1
• Molecular Formula: C9H18 O
• Molecular Weight: 142.241
• Hs Code.: 2909199090
• European Community (EC) Number: 690-870-3
• NSC Number: 99122
• DSSTox Substance ID: DTXSID00294987
• Nikkaji Number: J2.071.662B
• Wikidata: Q82034638
• Mol file: 3295-94-1.mol

Synonyms:ALLYL N-HEXYL ETHER;3295-94-1;1-prop-2-enoxyhexane;1-(prop-2-en-1-yloxy)hexane;allyl hexyl ether;NSC99122;1-(allyloxy)hexane;SCHEMBL475922;DTXSID00294987;NSC-99122;AKOS006345697;3-BIPHENYL-(3-ETHOXY)ACETICACID;FT-0690713

Chemical Property of Allyl N-hexyl ether

Chemical Property:

• Vapor Pressure: 2.19mmHg at 25°C
• Boiling Point: 168°Cat760mmHg
• Flash Point: 41.5°C
• PSA: 9.23000
• Density: 0.796g/cm³
• LogP: 2.76930
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 7
• Exact Mass: 142.135765193
• Heavy Atom Count: 10
• Complexity: 69.1

Purity/Quality:

99%min ^*data from raw suppliers

ALLYL N-HEXYL ETHER 95.00% ^*data from reagent suppliers

Safty Information:

• Statements: 10-36/37/38
• Safety Statements: 16-26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCOCC=C

Technology Process of Allyl N-hexyl ether

There total 2 articles about Allyl N-hexyl ether 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: 41.0%

hexyloxymethylthiirane → hexyl 2-propenyl ether (3295-94-1) + hexan-1-ol (111-27-3)

Guidance literature:

at 210 - 215 ℃;

DOI:10.1134/S1070363214110139

Reference yield:

hexyloxymethyloxirane (5926-90-9) → hexyl 2-propenyl ether (3295-94-1) + hexan-1-ol (111-27-3)

Guidance literature:

Multi-step reaction with 2 steps

1: thiourea / methanol

2: 210 - 215 °C

With thiourea; In methanol;

DOI:10.1134/S1070363214110139

Reference yield: 94.0%

hexyl 2-propenyl ether (3295-94-1) → hexan-1-ol (111-27-3)

Guidance literature:

With aniline; (?-allyl)palladium triflate based catalyst; at 50 ℃; for 2h;

DOI:10.1021/jo049732q

upstream raw materials:

hexyloxymethyloxirane

Downstream raw materials:

1-propoxy-hexane

hexan-1-ol

propene

1-hexyl acetate

Refernces