Octadeca-9,12,15-trienoic acid

Base Information

• Chemical Name: Octadeca-9,12,15-trienoic acid
• CAS No.: 28290-79-1
• Molecular Formula: C18H30 O2
• Molecular Weight: 278.435
• European Community (EC) Number: 217-792-0
• UNII: PO45E3L8YU
• DSSTox Substance ID: DTXSID401315640
• Nikkaji Number: J17.685K,J199.777G,J464.118C
• Wikidata: Q27286664
• Metabolomics Workbench ID: 583
• Mol file: 28290-79-1.mol

Synonyms:Elaidolinolenic acid;(9E,12E,15E)-octadeca-9,12,15-trienoic acid;linolenelaidic acid;Octadeca-9,12,15-trienoic acid;28290-79-1;1955-33-5;9,12,15-Octadecatrienoic acid;UNII-PO45E3L8YU;PO45E3L8YU;(9E,12E,15E)-9,12,15-Octadecatrienoic acid;9E,12E,15E-octadecatrienoic acid;EINECS 217-792-0;delta9,12,15-Octadecatrienoic acid;(E,E,E)-9,12,15-Octadecatrienoic acid;9,12,15-Octadecatrienoic acid, (E,E,E)-;trans-9, trans-12, trans-15-octadecatrienoic acid;C18:3n-3,6,9;linolensaure;9,12,15-Octadecatrienoic acid, (9Z,12Z,15Z)-;SCHEMBL46586;CCRIS 7126;CHEBI:92583;CHEBI:165492;DTOSIQBPPRVQHS-IUQGRGSQSA-N;DTXSID401315640;BBL027460;LMFA01030153;STK801963;AKOS015955691;LS-1275;cis-9,cis-12,cis-15 Octadecadienoic acid;LS-102392;(9E,12E,15E)-9,12,15-Octadecatrienoate;(9E,12Z,15E)-9,12,15-Octadecatrienoic acid;(ALL TRANS)-9,12,15-OCTADECATRIENOIC ACID;9,12,15-Octadecatrienoic acid, (9E,12E,15E)-;PREVENTION 1 (LINOLENIC ACID)(PREVENTION 1);Q27286664

Chemical Property of Octadeca-9,12,15-trienoic acid

Chemical Property:

• Melting Point: 29-30 °C
• Boiling Point: 443.4°Cat760mmHg
• PKA: 4.78±0.10(Predicted)
• Flash Point: 275.7°C
• PSA: 37.30000
• Density: 0.924g/cm³
• LogP: 5.66050
• Storage Temp.: −20°C
• XLogP3: 5.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 13
• Exact Mass: 278.224580195
• Heavy Atom Count: 20
• Complexity: 301

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Octadeca-9,12,15-trienoic acid

There total 2 articles about Octadeca-9,12,15-trienoic 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:

→ trans-linolenic acid (28290-79-1,1955-33-5,21661-10-9,21661-09-6,21661-13-2,21661-11-0)

Guidance literature:

With selenium; at 205 - 215 ℃; und folgendem Verseifen; Reinigung ueber das Hexabromid und den daraus mit Zink und alkoh. HCl erhaltenen Elaidolinolensaeureaethylester;

Reference yield:

hydrogenchloride (7647-01-0,15364-23-5) + 9,10,12,13,15,16-hexabromo-octadecanoic acid (4167-08-2) → trans-linolenic acid (28290-79-1,1955-33-5,21661-10-9,21661-09-6,21661-13-2,21661-11-0)

Guidance literature:

#erythro,erythro,erythro!-isomer(ic); beim folgendem Verseifen mit wss.-alkoh.KOH;

Reference yield: 95.0%

trans-linolenic acid (28290-79-1,1955-33-5,21661-10-9,21661-09-6,21661-13-2,21661-11-0) → 9,12,15-octadecatrien-1-ol (161465-32-3,2774-90-5)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 - 20 ℃; for 1h; Inert atmosphere;

upstream raw materials:

hydrogenchloride

9,10,12,13,15,16-hexabromo-octadecanoic acid

Downstream raw materials:

9,10,12,13,15,16-hexabromo-octadecanoic acid

7-ketocholesteryl acetate

3β-acetoxy-5,6-epoxycholestane

cholest-5-ene-3β,7-diol 3-monoacetate