(9Z,12Z)-13-hydroperoxyoctadeca-9,12-dienoic acid

Base Information

• Chemical Name: (9Z,12Z)-13-hydroperoxyoctadeca-9,12-dienoic acid
• CAS No.: 34444-18-3
• Molecular Formula: C₁₈H₃₂O₄
• Molecular Weight: 312.45
• UNII: GO26VC5N5G
• Wikidata: Q76386584
• Mol file: 34444-18-3.mol

Synonyms:12,13-epoxylinoleic acid;13-HPLA;13-hydroperoxylinoleic acid

Chemical Property of (9Z,12Z)-13-hydroperoxyoctadeca-9,12-dienoic acid

Chemical Property:

• Vapor Pressure: 3.36E-10mmHg at 25°C
• Boiling Point: 455.2°Cat760mmHg
• Flash Point: 153.3°C
• PSA: 66.76000
• Density: 1.004g/cm³
• LogP: 5.70180
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 15
• Exact Mass: 312.23005950
• Heavy Atom Count: 22
• Complexity: 321

Purity/Quality:

99% ^*data from raw suppliers

13-HYDROPEROXYLINOLEIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(=CCC=CCCCCCCCC(=O)O)OO
• Isomeric SMILES: CCCCC/C(=C/C/C=C\CCCCCCCC(=O)O)/OO

Technology Process of (9Z,12Z)-13-hydroperoxyoctadeca-9,12-dienoic acid

There total 2 articles about (9Z,12Z)-13-hydroperoxyoctadeca-9,12-dienoic 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 (60-33-3,116745-32-5,26085-09-6,64080-88-2,7049-66-3,949900-18-9,60476-23-5,6144-28-1,67922-65-0,89718-18-3) → 13-hydroperoxylinoleic acid (34444-18-3)

Guidance literature:

With ammonium hydroxide; sodium borate buffer; oxygen; lipoxygenase; 1.) 0 deg C, 15 min 2.) 0 deg C, 15 min;

Reference yield:

linoleic acid (60-33-3,116745-32-5,26085-09-6,64080-88-2,7049-66-3,949900-18-9,60476-23-5,6144-28-1,67922-65-0,89718-18-3) → 13-hydroperoxylinoleic acid (34444-18-3) + 13-L-hydroxylinoleic acid (67030-67-5)

Guidance literature:

With t-butylnitrite; di-tert-butyl nitroxide; In ethanol; Product distribution; Ambient temperature; γ-irradiation;

DOI:10.1246/cl.1981.1599

Reference yield:

13-hydroperoxylinoleic acid (34444-18-3) → 13-L-hydroxylinoleic acid (67030-67-5)

Guidance literature:

With sodium tetrahydroborate; In methanol; 1) 0 deg C, 20 min, 2) 25 deg C, 40 min.;

upstream raw materials:

linoleic acid

Downstream raw materials:

13-L-hydroxylinoleic acid