Furfuryl hexanoate

Base Information

• Chemical Name: Furfuryl hexanoate
• CAS No.: 39252-02-3
• Molecular Formula: C₁₁H₁₆O₃
• Molecular Weight: 196.246
• Hs Code.: 2932190090
• European Community (EC) Number: 609-625-9
• DSSTox Substance ID: DTXSID80339603
• Nikkaji Number: J47.713C
• Wikidata: Q63408798
• Mol file: 39252-02-3.mol

Synonyms:Furfuryl hexanoate;furan-2-ylmethyl hexanoate;39252-02-3;Hexanoic acid furfuryl ester;Furfuryl caproate;Furfuryl n-hexanoate;2-Furylmethyl hexanoate #;Furfuryl hexanoate, >=98%;(furan-2-yl)methyl hexanoate;SCHEMBL8579272;DTXSID80339603;Hexanoic acid, 2-furanylmethyl ester;AKOS006242784;Q63408798

Chemical Property of Furfuryl hexanoate

Chemical Property:

• Vapor Pressure: 0.023mmHg at 25°C
• Refractive Index: n20/D 1.459(lit.)
• Boiling Point: 149-150 °C50 mm Hg(lit.)
• Flash Point: 225 °F
• PSA: 39.44000
• Density: 1.014 g/mL at 25 °C(lit.)
• LogP: 2.90310
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 196.109944368
• Heavy Atom Count: 14
• Complexity: 168

Purity/Quality:

99% ^*data from raw suppliers

FURFURYL CAPROATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(=O)OCC1=CC=CO1

Technology Process of Furfuryl hexanoate

There total 2 articles about Furfuryl hexanoate 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: 63.0%

(2-furyl)methyl alcohol (98-00-0,25212-86-6,93793-62-5) + 1-oxohexan-2-yl p-nitrobenzoate (1262801-39-7) → furfuryl hexanoate (39252-02-3)

Guidance literature:

With 2-mesityl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-2-ium tetrafluoroborate; triethylamine; In tetrahydrofuran; at 20 ℃; for 16h; Inert atmosphere;

DOI:10.1039/c0cc02456b

Reference yield:

(2-furyl)methyl alcohol (98-00-0,25212-86-6,93793-62-5) + methyl hexanoate (106-70-7) → furfuryl hexanoate (39252-02-3)

Guidance literature:

With sodium;

upstream raw materials:

(2-furyl)methyl alcohol

methyl hexanoate

1-oxohexan-2-yl p-nitrobenzoate

Refernces