Butyl cyclohex-3-ene-1-carboxylate

Base Information

• Chemical Name: Butyl cyclohex-3-ene-1-carboxylate
• CAS No.: 37981-14-9
• Molecular Formula: C11H18 O2
• Molecular Weight: 182.263
• Hs Code.: 2916209090
• European Community (EC) Number: 253-737-7
• DSSTox Substance ID: DTXSID70958968
• Nikkaji Number: J261.280A
• Mol file: 37981-14-9.mol

Synonyms:Butyl cyclohex-3-ene-1-carboxylate;37981-14-9;EINECS 253-737-7;AI3-33541;SCHEMBL108178;DTXSID70958968;AS-78289;3-Cyclohexene-1-carboxylic acid butyl ester;3-Cyclohexene-1-carboxylic acid, butyl ester;D93455

Chemical Property of Butyl cyclohex-3-ene-1-carboxylate

Chemical Property:

• Vapor Pressure: 0.0456mmHg at 25°C
• Boiling Point: 237.1°Cat760mmHg
• Flash Point: 88.4°C
• PSA: 26.30000
• Density: 0.975g/cm³
• LogP: 2.68600
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 182.130679813
• Heavy Atom Count: 13
• Complexity: 185

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCOC(=O)C1CCC=CC1

Technology Process of Butyl cyclohex-3-ene-1-carboxylate

There total 2 articles about Butyl cyclohex-3-ene-1-carboxylate 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: 75.0%

3-Cyclohexene-1-carboxaldehyde (100-50-5,61746-36-9) + butan-1-ol (71-36-3) → n-butyl 4-cyclohexenecarboxylate (37981-14-9)

Guidance literature:

With potassium iodide; In cyclohexane; Ambient temperature; anode, platinum plate; cathode, carbon rod;

DOI:10.1021/jo00224a065

Reference yield:

→ n-butyl 4-cyclohexenecarboxylate (37981-14-9)

Guidance literature:

Butadien, Acrylsaeurebutylester;

upstream raw materials:

3-Cyclohexene-1-carboxaldehyde

butan-1-ol

Refernces