Furfuryl butyrate

Base Information

• Chemical Name: Furfuryl butyrate
• CAS No.: 623-21-2
• Molecular Formula: C9H12 O3
• Molecular Weight: 168.192
• European Community (EC) Number: 210-779-0
• NSC Number: 35555
• DSSTox Substance ID: DTXSID60211357
• Nikkaji Number: J47.700A
• Wikidata: Q63408969
• Metabolomics Workbench ID: 47912
• Mol file: 623-21-2.mol

Synonyms:FURFURYL BUTYRATE;623-21-2;furan-2-ylmethyl butanoate;Butyric acid, furfuryl ester;Furfuryl butanoate;Butanoic acid, 2-furanylmethyl ester;2-Furylmethyl butanoate;2-Furanylmethyl butanoate;Furfuryl n-butyrate;2-Furfuryl butyrate;2-Furfuryl n-butyrate;Furan-2-ylmethyl butyrate;Butyric acid furfuryl ester;EINECS 210-779-0;AI3-23592;2-Furfuryl-n-butyrate;2-Furylmethyl butyrate;uran-2-ylmethyl butanoate;2-Furylmethyl butyrate #;Furfuryl butyrate, >=99%;(furan-2-yl)methyl butanoate;SCHEMBL1532561;DTXSID60211357;CHEBI:168839;NSC35555;LMFA07010714;NSC 35555;NSC-35555;Q63408969

Chemical Property of Furfuryl butyrate

Chemical Property:

• Vapor Pressure: 0.195mmHg at 25°C
• Refractive Index: n20/D 1.459(lit.)
• Boiling Point: 129-130 °C52 mm Hg(lit.)
• Flash Point: 195 °F
• PSA: 39.44000
• Density: 1.053 g/mL at 25 °C(lit.)
• LogP: 2.12290
• Storage Temp.: 2-8°C
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 168.078644241
• Heavy Atom Count: 12
• Complexity: 145

Purity/Quality:

98%,99%, ^*data from raw suppliers

Furfuryl butyrate ≥99% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCC(=O)OCC1=CC=CO1
• Description: Ten pounds of this substance was reported as added to food in the 1982 NAS survey of food additives. No functionality was given.

Technology Process of Furfuryl butyrate

There total 6 articles about Furfuryl butyrate 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: 65.0%

(2-furyl)methyl alcohol (98-00-0,25212-86-6,93793-62-5) + butanoic acid methyl ester (623-42-7) → (furan-2-yl)methyl butyrate (623-21-2)

Guidance literature:

With basic alumina; for 2.5h; Neat (no solvent); ball-milling;

DOI:10.1016/j.tetlet.2012.05.127

Reference yield: 52.0%

5-hydroxymethyl-2-furfuraldehyde (67-47-0) + 1-iodo-propane (107-08-4) → (furan-2-yl)methyl butyrate (623-21-2)

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:

butyraldehyde (123-72-8) + diethyl phosphonoethylacetate → (furan-2-yl)methyl butyrate (623-21-2)

Guidance literature:

potassium carbonate; In (2-furyl)methyl alcohol;

upstream raw materials:

furfural

aluminum isopropoxide

butyraldehyde

tetrachloromethane

Refernces

• 1、 Chatterjee, Tanmay,Saha, Debasree,Ranu, Brindaban C.. "Solvent-free transesterification in a ball-mill over alumina surface". experimental part. p. 4142 - 4144. Retrieved 2012/08/28.