Isoamyl levulinate

Base Information

• Chemical Name: Isoamyl levulinate
• CAS No.: 71172-75-3
• Molecular Formula: C₁₀H₁₈O₃
• Molecular Weight: 186.251
• European Community (EC) Number: 615-259-0
• UNII: P35CN794AQ
• DSSTox Substance ID: DTXSID30221367
• Nikkaji Number: J43.374H
• Wikidata: Q27286069
• Mol file: 71172-75-3.mol

Synonyms:ISOAMYL LEVULINATE;71172-75-3;3-methylbutyl 4-oxopentanoate;Isopentyl levulinate;iso-Amyl levulinate;FEMA No. 4481;Pentanoic acid, 4-oxo-, 3-methylbutyl ester;Levulinic acid, isopentyl ester;Isopentyl 4-oxopentanoate;UNII-P35CN794AQ;P35CN794AQ;4-oxo-pentanoic acid isopentyl ester;Iso-amyllevulinate;Isopentyl 4-oxopentanoate #;SCHEMBL527566;DTXSID30221367;AKOS006271981;Q27286069

Chemical Property of Isoamyl levulinate

Chemical Property:

• Vapor Pressure: 0.0187mmHg at 25°C
• Refractive Index: 1.428
• Boiling Point: 253.1°C at 760 mmHg
• Flash Point: 103.9°C
• PSA: 43.37000
• Density: 0.957g/cm³
• LogP: 1.94490
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 186.125594432
• Heavy Atom Count: 13
• Complexity: 173

Purity/Quality:

95% ^*data from raw suppliers

3-METHYLBUTYL-4-OXOPENTANOATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CCOC(=O)CCC(=O)C

Technology Process of Isoamyl levulinate

There total 5 articles about Isoamyl levulinate 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: 79.0%

i-Amyl alcohol (123-51-3) + levulinic acid (123-76-2) → isopentyl 4-oxopentanoate (71172-75-3)

Guidance literature:

With Silica-supported propylsulfonic acid; air; In neat (no solvent); at 75 ℃; for 5h; Molecular sieve; Sealed tube;

DOI:10.3762/bjoc.12.207

Reference yield: 59.0%

D-Fructose (57-48-7,18875-34-8) + i-Amyl alcohol (123-51-3) → 5-(3-methyl-butoxymethyl)-furan-2-carbaldehyde (1917-69-7) + isopentyl 4-oxopentanoate (71172-75-3)

Guidance literature:

sulfuric acid; at 20 - 200 ℃; for 0.1h; Product distribution / selectivity; Microwave irradiation; Sealed tube;

Reference yield:

→ isopentyl 4-oxopentanoate (71172-75-3)

Guidance literature:

With sulfuric acid; anschliessend mit Wasser;

DOI:10.1359/jbmr.2001.16.1.166

upstream raw materials:

(2-furyl)methyl alcohol

i-Amyl alcohol

levulinic acid

D-Fructose