Propyl levulinate

Base Information

• Chemical Name: Propyl levulinate
• CAS No.: 645-67-0
• Molecular Formula: C8H14 O3
• Molecular Weight: 158.197
• Hs Code.: 2918300090
• NSC Number: 4876
• UNII: V2C79957U4
• DSSTox Substance ID: DTXSID70214753
• Nikkaji Number: J132.349K
• Wikidata: Q27291447
• Metabolomics Workbench ID: 49453
• Mol file: 645-67-0.mol

Synonyms:Propyl levulinate;Propyl 4-oxopentanoate;645-67-0;Pentanoic acid, 4-oxo-, propyl ester;Levulinic acid, propyl ester;FEMA No. 4480;UNII-V2C79957U4;NSC-4876;V2C79957U4;n-Propyl levulinate;Propyl Ester;NSC4876;Propyl4-oxopentanoate;Propyl 4-oxopentanoate #;Levulinic acid propyl ester;Propyl levulinate, >=95%;SCHEMBL166674;DTXSID70214753;4-oxo-pentanoic acid propyl ester;CHEBI:173677;NSC 4876;MFCD16041935;AKOS009166418;DS-11858;CS-0152060;P2631;A918299;Q27291447

Chemical Property of Propyl levulinate

Chemical Property:

• Vapor Pressure: 0.11mmHg at 25°C
• Refractive Index: 1.4258
• Boiling Point: 221°C at 760 mmHg
• Flash Point: 88.3°C
• PSA: 43.37000
• Density: 0.981g/cm³
• LogP: 1.30880
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 158.094294304
• Heavy Atom Count: 11
• Complexity: 140

Purity/Quality:

98% ^*data from raw suppliers

Propyl Levulinate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCOC(=O)CCC(=O)C

Technology Process of Propyl levulinate

There total 23 articles about Propyl 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: 97.76%

(2-furyl)methyl alcohol (98-00-0,25212-86-6,93793-62-5) + propan-1-ol (71-23-8) → n-propyl levulinate (645-67-0)

Guidance literature:

With SO₄₂-/MxOy; In water; at 20 - 80 ℃; for 5h; Temperature; Solvent; Reagent/catalyst;

Reference yield: 97.52%

(2-furyl)methyl alcohol (98-00-0,25212-86-6,93793-62-5) + propan-1-ol (71-23-8) → n-propyl levulinate (645-67-0)

Guidance literature:

at 20 - 80 ℃; for 5h;

Reference yield: 96.5%

propan-1-ol (71-23-8) + levulinic acid (123-76-2) → n-propyl levulinate (645-67-0)

Guidance literature:

With aluminum(III) sulphate octadecahydrate; at 150 ℃; for 0.333333h; Sealed tube; Microwave irradiation;

DOI:10.1039/c5ra24305j

upstream raw materials:

(2-furyl)methyl alcohol

propan-1-ol

levulinonitrile

levulinic acid

Downstream raw materials:

4-(2,4-dinitro-phenylhydrazono)-valeric acid propyl ester

5-methyl-dihydro-furan-2-one

dipropyl oxalate

dipropyl succinate

Refernces

• 1、 Vaishnavi,Sujith,Kulal, Nagendra,Manjunathan, Pandian,Shanbhag, Ganapati V.. "Utilization of renewable resources: Investigation on role of active sites in zeolite catalyst for transformation of furfuryl alcohol into alkyl levulinate". . . Retrieved 2021/01/18.
• 2、 He, Zhiwei,Huang, Kun,Song, Chunmei,Wang, Huaqing,Yu, Haitao,Zhang, Li. "Encapsulation of heteropolyacids within hollow microporous polymer nanospheres for sustainable esterification reaction". . . Retrieved 2021/10/25.