Octadec-6-enoic acid

Base Information

• Chemical Name: Octadec-6-enoic acid
• CAS No.: 4712-34-9
• Molecular Formula: C18H34O2
• Molecular Weight: 282.467
• DSSTox Substance ID: DTXSID00862261
• Wikidata: Q27116669
• Mol file: 4712-34-9.mol

Synonyms:octadec-6-enoic acid;6-Octadecenoic acid, (6Z)-;DTXSID00862261;AKOS028109020;FT-0632468;FT-0773295;D91785;Q27116669

Chemical Property of Octadec-6-enoic acid

Chemical Property:

• Boiling Point: 399°Cat760mmHg
• Flash Point: 295.8°C
• PSA: 37.30000
• Density: 0.899g/cm³
• LogP: 6.10850
• XLogP3: 7.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 15
• Exact Mass: 282.255880323
• Heavy Atom Count: 20
• Complexity: 234

Purity/Quality:

95% ^*data from raw suppliers

Petroselaidicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCC=CCCCCC(=O)O

Technology Process of Octadec-6-enoic acid

There total 1 articles about Octadec-6-enoic 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:

linoleic acid methyl ester (2462-85-3,2566-97-4,20221-26-5,20221-27-6,112-63-0) → Elaidic Acid (112-79-8) + (9Z,12Z)-octadeca-9,11-dienoic acid (544-70-7) + cis-9,trans-11-octadecadienoic acid (544-70-7,544-71-8,872-23-1,1839-11-8,2540-56-9) + (10Z,12Z)-Octadeca-9,11-dienoic acid (7307-45-1) + trans-10,cis-12-octadecadienoic acid (1072-36-2,2420-44-2,2420-56-6,7307-45-1,22880-03-1) + 6-octadecenoic acid (4712-34-9)

Guidance literature:

With potassium hydroxide; In ethylene glycol; at 180 ℃; for 3h; Product distribution; var. reaction time;

DOI:10.1007/s11746-998-0327-x

Reference yield: 39.4%

6-octadecenoic acid (4712-34-9) + dopamine hydrochloride (62-31-7) → N-petroselinoyl dopamine

Guidance literature:

With 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; triethylamine; In dichloromethane; ethyl acetate; at 0 - 20 ℃; for 0.5h; Inert atmosphere;

DOI:10.1248/cpb.c16-00162

Reference yield:

6-octadecenoic acid (4712-34-9) → octadec-6-ynoic acid (544-74-1)

Guidance literature:

Multistep reaction; (i) Br₂, (ii) KOH;

DOI:10.1002/hlca.19680510217

upstream raw materials:

linoleic acid methyl ester

Downstream raw materials:

octadec-6-ynoic acid

Refernces