4-Octenoic acid, methyl ester

Base Information

• Chemical Name: 4-Octenoic acid, methyl ester
• CAS No.: 21063-71-8
• Molecular Formula: C9H16O2
• Molecular Weight: 156.225
• Hs Code.: 2916190090
• Nikkaji Number: J125.877J
• Metabolomics Workbench ID: 48671
• Mol file: 21063-71-8.mol

Synonyms:Methyl 4Z-octenoate;methyl (E)-oct-4-enoate;4-Octenoic acid, methyl ester;4-Octenoic acid methyl ester;METHYL (4E)-OCT-4-ENOATE;Methyl (4E)-4-octenoate;1732-00-9;Methyl oct-4-enoate;(Z)-Methyl 4-octenoate;Methyl (4Z)-4-octenoate;Methyl 4-octenoate #;SCHEMBL3506096;SCHEMBL7700884;FEMA 3367;CHEBI:171743;Methyl ester(Z)-4-Octenoic acid;SSPBQLGVUAXSMH-AATRIKPKSA-N;Methyl ester(4Z)-4-Octenoic acid;LMFA07010956

Chemical Property of 4-Octenoic acid, methyl ester

Chemical Property:

• Vapor Pressure: 1.24mmHg at 25°C
• Refractive Index: 1.436
• Boiling Point: 173.9 °C at 760 mmHg
• Flash Point: 57.3 °C
• PSA: 26.30000
• Density: 0.896 g/cm³
• LogP: 2.29590
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 156.115029749
• Heavy Atom Count: 11
• Complexity: 128

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCC=CCCC(=O)OC
• Isomeric SMILES: CCC/C=C/CCC(=O)OC
• Description: May be prepared from cis-4-octenoic acid ethyl ester and methanol in the presence of sodium catalyst.

Technology Process of 4-Octenoic acid, methyl ester

There total 2 articles about 4-Octenoic acid, methyl ester 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:

methanol (67-56-1) + (Z)-oct-4-enoic acid ethyl ester (34495-71-1) → cis-4-Octensaeuremethylester (21063-71-8)

Guidance literature:

With sodium; for 18h; Ambient temperature;

DOI:10.1002/hlca.19710540715

Reference yield:

→ cis-4-Octensaeuremethylester (21063-71-8)

Guidance literature:

upstream raw materials:

methanol

(Z)-oct-4-enoic acid ethyl ester