9-Octadecen-12-ynoic acid

Base Information

• Chemical Name: 9-Octadecen-12-ynoic acid
• CAS No.: 2277-31-8
• Molecular Formula: C₁₈H₃₀O₂
• Molecular Weight: 278.435
• Hs Code.: 2916190090
• Nikkaji Number: J952.839C
• Metabolomics Workbench ID: 1084
• Mol file: 2277-31-8.mol

Synonyms:(Z)-isomer of crepenynic acid;crepenynic acid;octadec-9-en-12-ynoic acid

Chemical Property of 9-Octadecen-12-ynoic acid

Chemical Property:

• Vapor Pressure: 1.67E-06mmHg at 25°C
• Boiling Point: 370.4°Cat760mmHg
• Flash Point: 183°C
• PSA: 37.30000
• Density: 0.936g/cm³
• LogP: 5.33170
• XLogP3: 6.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 12
• Exact Mass: 278.224580195
• Heavy Atom Count: 20
• Complexity: 317

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC#CCC=CCCCCCCCC(=O)O
• Isomeric SMILES: CCCCCC#CC/C=C/CCCCCCCC(=O)O

Technology Process of 9-Octadecen-12-ynoic acid

There total 3 articles about 9-Octadecen-12-ynoic acid 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:

methyl cis-octadec-9-en-12-ynoate (2907-83-7) → crepenynic acid (2277-31-8,13214-35-2)

Guidance literature:

With potassium hydroxide; ethanol;

DOI:10.1021/jo01025a016

Reference yield:

1-Bromopentane (110-53-2) + 7,7-dichloro-norcar-3-en-1-ol (67382-61-0) + [6-(1-ethoxy-ethoxy)-hexyl]-magnesium chloride (127268-99-9) → crepenynic acid (2277-31-8,13214-35-2)

Guidance literature:

Multistep reaction;

DOI:10.1016/S0040-4039(01)95181-0

Reference yield:

→ crepenynic acid (2277-31-8,13214-35-2)

Guidance literature:

DOI:10.1039/C19670001055

upstream raw materials:

1-Bromopentane

7,7-dichloro-norcar-3-en-1-ol

[6-(1-ethoxy-ethoxy)-hexyl]-magnesium chloride

methyl cis-octadec-9-en-12-ynoate