Furfuryl pentanoate

Base Information

• Chemical Name: Furfuryl pentanoate
• CAS No.: 36701-01-6
• Molecular Formula: C10H14 O3
• Molecular Weight: 182.219
• Hs Code.: 2932190090
• European Community (EC) Number: 253-160-0
• UNII: 8KBJ13E9P2
• DSSTox Substance ID: DTXSID8067993
• Nikkaji Number: J184.199H
• Wikidata: Q27270663
• Metabolomics Workbench ID: 47910
• Mol file: 36701-01-6.mol

Synonyms:Furfuryl pentanoate;furan-2-ylmethyl pentanoate;36701-01-6;Furfuryl valerate;2-Furfuryl pentanoate;Pentanoic acid, 2-furanylmethyl ester;alpha-Furfuryl pentanoate;2-Furanylmethyl pentanoate;FEMA No. 3397;UNII-8KBJ13E9P2;8KBJ13E9P2;EINECS 253-160-0;2-Furylmethyl pentanoate;OXAROMATE 884;uran-2-ylmethyl pentanoate;Valeric acid furfuryl ester;2-Furylmethyl pentanoate #;SCHEMBL155116;(furan-2-yl)methyl pentanoate;DTXSID8067993;FEMA 3397;CHEBI:179569;.ALPHA.-FURFURYL PENTANOATE;Furfuryl pentanoate, >=97%, FG;LMFA07010892;AKOS015915490;SB61601;.ALPHA.-FURFURYL PENTANOATE [FHFI];FT-0626582;A823333;Q27270663

Chemical Property of Furfuryl pentanoate

Chemical Property:

• Appearance/Colour: Liquid.
• Vapor Pressure: 0.0668mmHg at 25°C
• Refractive Index: n20/D 1.46(lit.)
• Boiling Point: 230.2°Cat760mmHg
• Flash Point: 98.3°C
• PSA: 39.44000
• Density: 1.043g/cm³
• LogP: 2.51300
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 182.094294304
• Heavy Atom Count: 13
• Complexity: 156

Purity/Quality:

99% ^*data from raw suppliers

Furfuryl pentanoate ≥97%,FG ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Furfuryl pentanoate

There total 17 articles about Furfuryl pentanoate 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: 50.0%

5-hydroxymethyl-2-furfuraldehyde (67-47-0) + 1-iodo-butane (542-69-8) → furfuryl pentanoate (36701-01-6)

Guidance literature:

With bis(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate; 1,3-bis-(diphenylphosphino)propane; sodium carbonate; In 2-methyltetrahydrofuran; at 135 ℃; for 24h; Molecular sieve; Inert atmosphere; Sealed tube;

DOI:10.1016/j.jcat.2019.11.008

Reference yield:

3-valeroyloxymethylpyridazine 2-oxide (79246-38-1) → furfuryl pentanoate (36701-01-6) + Pentanoic acid 2-cycloprop-2-enyl-2-oxo-ethyl ester (79246-40-5) + Pentanoic acid pyridazin-3-ylmethyl ester (79246-39-2)

Guidance literature:

In dichloromethane; Title compound not separated from byproducts; Irradiation;

DOI:10.1016/S0040-4039(01)92909-0

Reference yield:

cis-octadec-7-ene (7206-35-1) + 3-valeroyloxymethylpyridazine 2-oxide (79246-38-1) → furfuryl pentanoate (36701-01-6) + 7-octadecanone (18277-00-4) + Pentanoic acid pyridazin-3-ylmethyl ester (79246-39-2) + (Z)-7,8-epoxyoctadecane (59907-00-5,59907-01-6,64183-62-6)

Guidance literature:

In dichloromethane; Yield given. Further byproducts given. Title compound not separated from byproducts; Irradiation;

DOI:10.1016/S0040-4039(01)92909-0

upstream raw materials:

cis-octadec-7-ene

3-valeroyloxymethylpyridazine 2-oxide

3-valeroyloxymethylpyridazine 1-oxide

methoxybenzene