9-Oxo-10,12,15-octadecatrienoic acid

Base Information

• Chemical Name: 9-Oxo-10,12,15-octadecatrienoic acid
• CAS No.: 64265-94-7
• Molecular Formula: C₁₈H₃₀O₄
• Molecular Weight: 310.434
• Hs Code.: 2918990090
• Nikkaji Number: J636.896D
• Mol file: 64265-94-7.mol

Synonyms:9-oxo-10,12,15-octadecatrienoic acid;9-oxo-10,12,15-ODTA

Chemical Property of 9-Oxo-10,12,15-octadecatrienoic acid

Chemical Property:

• Vapor Pressure: 8.11E-10mmHg at 25°C
• Boiling Point: 462°C at 760 mmHg
• PKA: 4.78±0.10(Predicted)
• Flash Point: 247.3°C
• PSA: 54.37000
• Density: 0.98g/cm³
• LogP: 4.83950
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 13
• Exact Mass: 292.20384475
• Heavy Atom Count: 21
• Complexity: 365

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 9-Oxo-10,12,15-octadecatrienoic acid

There total 5 articles about 9-Oxo-10,12,15-octadecatrienoic 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:

(9Z,12Z,15Z)-octadeca-9-12,15-trienoic acid (463-40-1,1955-33-5,21661-10-9,21661-09-6,21661-13-2,21661-11-0) → (10E,12Z,15Z)-9-hydroperoxy-10,12,15-octadecatrienoic acid (64265-94-7) + C18H30O4 (123372-20-3) + 12-hydroperoxy-cis,trans,cis-9,13,15-octadecatrienoic acid (123372-21-4) + (9Z,11E,15Z)-13-hydroperoxy-9,11,15-octadecatrienoic acid (28836-09-1) + 9-oxo-(10E,12Z,15Z)-octadecatrienoic acid (125559-74-2)

Guidance literature:

With Physcomitrella patens lipoxygenase PpLOX₁b; oxygen; for 0.5h; pH=7.0; aq. phosphate buffer; Enzymatic reaction;

DOI:10.1016/j.phytochem.2008.11.012

Reference yield:

(9Z,12Z,15Z)-octadeca-9-12,15-trienoic acid (463-40-1,1955-33-5,21661-10-9,21661-09-6,21661-13-2,21661-11-0) → (10E,12Z,15Z)-9-hydroperoxy-10,12,15-octadecatrienoic acid (64265-94-7) + C18H30O4 (123372-20-3) + 12-hydroperoxy-cis,trans,cis-9,13,15-octadecatrienoic acid (123372-21-4) + (9Z,11E,15Z)-13-hydroperoxy-9,11,15-octadecatrienoic acid (28836-09-1) + (9Z,11E,15Z)-13-oxooctadeca-9,11,15-trienoic acid + 9-oxo-(10E,12Z,15Z)-octadecatrienoic acid (125559-74-2)

Guidance literature:

With Physcomitrella patens lipoxygenase PpLOX₂; oxygen; for 0.5h; pH=7.0; aq. phosphate buffer; Enzymatic reaction;

DOI:10.1016/j.phytochem.2008.11.012

Reference yield:

(9Z,12Z,15Z)-octadeca-9-12,15-trienoic acid (463-40-1,1955-33-5,21661-10-9,21661-09-6,21661-13-2,21661-11-0) → (10E,12Z,15Z)-9-hydroperoxy-10,12,15-octadecatrienoic acid (64265-94-7) + 12-hydroperoxy-cis,trans,cis-9,13,15-octadecatrienoic acid (123372-21-4) + (9Z,11E,15Z)-13-hydroperoxy-9,11,15-octadecatrienoic acid (28836-09-1)

Guidance literature:

With Physcomitrella patens lipoxygenase PpLOX₆; oxygen; for 0.5h; pH=7.0; aq. phosphate buffer; Enzymatic reaction;

DOI:10.1016/j.phytochem.2008.11.012

upstream raw materials:

(9Z,12Z,15Z)-octadeca-9-12,15-trienoic acid

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