Butyl 3-methoxypropionate

Base Information

• Chemical Name: Butyl 3-methoxypropionate
• CAS No.: 4195-88-4
• Molecular Formula: C8H16 O3
• Molecular Weight: 160.213
• Hs Code.: 2918990090
• European Community (EC) Number: 224-078-2
• NSC Number: 406485
• UNII: 5KD98Q3SUY
• DSSTox Substance ID: DTXSID30194709
• Nikkaji Number: J191.521E
• Wikidata: Q83067520
• Mol file: 4195-88-4.mol

Synonyms:Butyl 3-methoxypropionate;4195-88-4;EINECS 224-078-2;NSC-406485;Propanoic acid, 3-methoxy-, butyl ester;AI3-03242;5KD98Q3SUY;SCHEMBL447302;DTXSID30194709;3-Methoxypropanoic acid butyl ester;3-methoxy-propanoic acid butyl ester;3-Methoxy-propionic acid butyl ester;NSC406485;beta-Methoxypropionic acid butyl ester;AKOS017331318;NSC 406485

Chemical Property of Butyl 3-methoxypropionate

Chemical Property:

• Vapor Pressure: 0.2mmHg at 25°C
• Refractive Index: 1.4370 (estimate)
• Boiling Point: 209.7°C at 760 mmHg
• Flash Point: 69.4°C
• PSA: 35.53000
• Density: 0.94g/cm³
• LogP: 1.36620
• Water Solubility.: 9.80g/L(25 oC)
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 160.109944368
• Heavy Atom Count: 11
• Complexity: 102

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOC(=O)CCOC

Technology Process of Butyl 3-methoxypropionate

There total 6 articles about Butyl 3-methoxypropionate 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: 96.0%

methanol (67-56-1) + acrylic acid n-butyl ester (141-32-2,9003-49-0) → butyl β-methoxypropionate (4195-88-4)

Guidance literature:

With 4-tert-Butylcatechol; potassium ethoxide; at 40 - 100 ℃; for 10h;

Reference yield:

methyl 3-methoxypropionate (3852-09-3) + butan-1-ol (71-36-3) → butyl β-methoxypropionate (4195-88-4)

Guidance literature:

With sulfuric acid;

DOI:10.1021/ja01208a003

Reference yield:

3-Methoxypropionitrile (110-67-8) + butan-1-ol (71-36-3) → butyl β-methoxypropionate (4195-88-4)

Guidance literature:

With sulfuric acid; at 115 ℃;

upstream raw materials:

3-Methoxypropionitrile

butan-1-ol

methyl 3-methoxypropionate

n-butyl bromoacetate

Downstream raw materials:

3-Benzyloxy-propionsaeure-benzylester

Refernces