Pentyl 3-methyl-2-butenoate

Base Information

• Chemical Name: Pentyl 3-methyl-2-butenoate
• CAS No.: 56922-72-6
• Molecular Formula: C₁₀H₁₈O₂
• Molecular Weight: 170.252
• European Community (EC) Number: 260-436-4
• NSC Number: 61854
• DSSTox Substance ID: DTXSID00205472
• Nikkaji Number: J267.136K
• Mol file: 56922-72-6.mol

Synonyms:Pentyl 3-methyl-2-butenoate;56922-72-6;2-Butenoic acid, 3-methyl-, pentyl ester;EINECS 260-436-4;3-Methyl-2-butenoic acid, pentyl ester;AI3-32915;NSC61854;Pentyl 3-methyl-2-butenoate #;DTXSID00205472;NSC 61854;NSC-61854;3-Methyl-2-butenoic acid pentyl ester

Chemical Property of Pentyl 3-methyl-2-butenoate

Chemical Property:

• Vapor Pressure: 0.154mmHg at 25°C
• Boiling Point: 214.7°C at 760 mmHg
• Flash Point: 84.2°C
• PSA: 26.30000
• Density: 0.893g/cm³
• LogP: 2.68600
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 170.130679813
• Heavy Atom Count: 12
• Complexity: 155

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCOC(=O)C=C(C)C

Technology Process of Pentyl 3-methyl-2-butenoate

There total 2 articles about Pentyl 3-methyl-2-butenoate 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: 99.7%

3,3-Dimethylacryloyl chloride (3350-78-5) + pentan-1-ol (71-41-0) → pentyl 3-methyl-2-butenoate (56922-72-6)

Guidance literature:

With pyridine; dmap; dicyclohexyl-carbodiimide; In dichloromethane; at 0 - 20 ℃; for 3.5h;

DOI:10.1021/jf503631e

Reference yield:

3-Methylbutenoic acid (541-47-9) + pentan-1-ol (71-41-0) → pentyl 3-methyl-2-butenoate (56922-72-6)

Guidance literature:

With toluene-4-sulfonic acid; Heating;

upstream raw materials:

3-Methylbutenoic acid

pentan-1-ol

3,3-Dimethylacryloyl chloride