2-Hexyl-4-acetoxytetrahydrofuran

Base Information

Chemical Name:2-Hexyl-4-acetoxytetrahydrofuran
CAS No.:10039-39-1
Molecular Formula:C₁₂H₂₂O₃
Molecular Weight:214.305
Hs Code.:2932190090
European Community (EC) Number:600-089-1
DSSTox Substance ID:DTXSID90864198
Nikkaji Number:J1.536.622B
Wikidata:Q27264083
Metabolomics Workbench ID:47766
Mol file:10039-39-1.mol

Synonyms:(5-hexyloxolan-3-yl) acetate;10039-39-1;2-Hexyl-4-acetoxytetrahydrofuran;5-Hexyltetrahydro-3-furanyl acetate;3-Furanol, 5-hexyltetrahydro-, acetate;5-hexyl-3-tetrahydrofuryl acetate;4-Acetoxy-2-hexyltetrahydrofuran;2-Hexyltetrahydrofuran-4-yl acetate;UNII-677FSS3W4M;5-HEXYLOXOLAN-3-YL ACETATE;677FSS3W4M;SCHEMBL3505780;DTXSID90864198;CHEBI:171810;Acetic acid 2-hexyltetrahydrofuran-4-yl ester;Q27264083

Suppliers and Price of 2-Hexyl-4-acetoxytetrahydrofuran

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 8 raw suppliers

Chemical Property of 2-Hexyl-4-acetoxytetrahydrofuran

Chemical Property:

Vapor Pressure:0.00484mmHg at 25°C
Boiling Point:276.3°Cat760mmHg
Flash Point:110.7°C
PSA：35.53000
Density:0.97g/cm³
LogP:2.67740
XLogP3:3.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:7
Exact Mass:214.15689456
Heavy Atom Count:15
Complexity:191

Purity/Quality:: 98%,99%, ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCCC1CC(CO1)OC(=O)C
Description 2-Hexyl-4-acetoxytetrahydrofuran has a sweet, floral-fruity odor and a sweet, powerful, fruity (peach-apricot) taste.

Technology Process of 2-Hexyl-4-acetoxytetrahydrofuran

There total 9 articles about 2-Hexyl-4-acetoxytetrahydrofuran 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: 84.0%

: 5-hexyl-3-hydroxytetrahydrofuran

: 108-24-7
acetic anhydride

: 10039-39-1
2-hexyl-4-acetoxytetrahydrofuran

Guidance literature:: With dmap; In pyridine; at 20 ℃; optical yield given as %de;
DOI:10.3184/174751912X13353412394690

Reference yield:

: 36971-14-9
dec-1-en-4-ol

: 10039-39-1
2-hexyl-4-acetoxytetrahydrofuran

Guidance literature:: Multi-step reaction with 3 steps

1: Br₂; aq. Na₂S₂O₃; NaHCO₃ / CH₂Cl₂ / 0 - 5 °C

2: K₂CO₃ / methanol / 4 h / 20 °C

3: dimethylsulfoxide / 6 h / 70 - 80 °C

With bromine; sodium hydrogencarbonate; potassium carbonate; sodium thiosulfate; In methanol; dichloromethane; dimethyl sulfoxide;
DOI:10.1007/s11172-006-0415-8

Reference yield:

: 111-71-7
heptanal

: 10039-39-1
2-hexyl-4-acetoxytetrahydrofuran

Guidance literature:: Multi-step reaction with 4 steps

1.1: iodine; magnesium / diethyl ether / 0.5 h / Inert atmosphere; Reflux

1.2: 1 h / 30 °C / Inert atmosphere; Reflux

2.1: triethylamine / dichloromethane / 6 h / 0 - 20 °C

3.1: formic acid; dihydrogen peroxide / 40 - 45 °C / Cooling with ice

3.2: 6 h / 20 °C

4.1: dmap / pyridine / 20 °C

With dmap; formic acid; dihydrogen peroxide; iodine; magnesium; triethylamine; In pyridine; diethyl ether; dichloromethane;
DOI:10.3184/174751912X13353412394690