Propyl 3-chloropropionate

Base Information

• Chemical Name: Propyl 3-chloropropionate
• CAS No.: 62108-66-1
• Molecular Formula: C6H11ClO2
• Molecular Weight: 150.605
• Hs Code.: 2915900090
• European Community (EC) Number: 263-410-0
• DSSTox Substance ID: DTXSID60211170
• Nikkaji Number: J306.986I
• Wikidata: Q83086017
• Mol file: 62108-66-1.mol

Synonyms:Propyl 3-chloropropionate;62108-66-1;Propanoic acid, 3-chloro-, propyl ester;EINECS 263-410-0;n-Propyl-3-chloropropionate;SCHEMBL1363981;DTXSID60211170;3-Chloropropionic acid propyl ester;3-chloro-propionic acid propyl ester;AKOS006272374

Chemical Property of Propyl 3-chloropropionate

Chemical Property:

• Vapor Pressure: 0.915mmHg at 25°C
• Refractive Index: 1.4290
• Boiling Point: 180°Cat760mmHg
• Flash Point: 66°C
• PSA: 26.30000
• Density: 1.057g/cm³
• LogP: 1.56850
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 150.0447573
• Heavy Atom Count: 9
• Complexity: 83.1

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCOC(=O)CCCl

Technology Process of Propyl 3-chloropropionate

There total 2 articles about Propyl 3-chloropropionate 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:

propan-1-ol (71-23-8) + chloropropionic acid (107-94-8) → 3-chloro-propionic acid propyl ester (62108-66-1)

Guidance literature:

With sulfuric acid; In 1,4-dioxane; at 60 ℃;

DOI:10.1002/kin.20845

Reference yield:

propan-1-ol (71-23-8) + β-Propiolactone (57-57-8) → 3-chloro-propionic acid propyl ester (62108-66-1)

Guidance literature:

With hydrogenchloride;

upstream raw materials:

propan-1-ol

β-Propiolactone

chloropropionic acid

Refernces