Phloionolic acid

Base Information

• Chemical Name: Phloionolic acid
• CAS No.: 496-86-6
• Molecular Formula: C18H36O5
• Molecular Weight: 332.481
• DSSTox Substance ID: DTXSID60415257
• Nikkaji Number: J653.363I
• Wikidata: Q53679584
• Metabolomics Workbench ID: 2183
• Mol file: 496-86-6.mol

Synonyms:Phloionolic acid;9,10,18-trihydroxyoctadecanoic acid;496-86-6;9,10,18-trihydroxy-octadecanoic acid;9,10,18-trihydroxystearic acid;UNII-9E7QH7XW34;Octadecanoic acid, 9,10,18-trihydroxy-;9E7QH7XW34;9,10,18-Trihydroxy-stearic acid;9,10,18-trihydroxystearate;Aleutiric acid;Compound NP-023781;SCHEMBL1134705;DTXSID60415257;CHEBI:133325;OISFHODBOQNZAG-UHFFFAOYSA-N;LMFA02000147;AKOS040737422;C19621;Q53679584

Chemical Property of Phloionolic acid

Chemical Property:

• XLogP3: 3.6
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 17
• Exact Mass: 332.25627424
• Heavy Atom Count: 23
• Complexity: 270

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCCCO)CCCC(C(CCCCCCCC(=O)O)O)O

Technology Process of Phloionolic acid

There total 5 articles about Phloionolic 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:

suberin → 1,18-octadec-9-enedioic acid (4494-16-0) + 18-hydroxyoctadec-9-enoic acid (3329-38-2) + C17H32O4 + 9,16-dihydroxyhexadecanoic acid (38076-49-2,69232-68-4) + 22-hydroxydocosanoic acid (506-45-6) + 9,10,18-trihydroxyoctadecanoic acid (496-86-6) + docosanedioic acid (505-56-6)

Guidance literature:

suberin; With sodium hydroxide; In isopropyl alcohol; for 1.25h; Heating / reflux;

With sulfuric acid; In water; at 100 ℃; pH=2 - 3;

Reference yield:

18-Hydroxyoleic acid (24753-52-4) → (+/-)-erythro-9,10,18-trihydroxy-octadecanoic acid (496-86-6,583-86-8,17673-81-3,17705-68-9,36700-37-5,45272-28-4)

Guidance literature:

With potassium hydroxide; potassium permanganate;

Reference yield:

→ (+/-)-erythro-9,10,18-trihydroxy-octadecanoic acid (496-86-6,583-86-8,17673-81-3,17705-68-9,36700-37-5,45272-28-4)

Guidance literature:

With tetrahydrofuran; lithium borate;

upstream raw materials:

18-Hydroxyoleic acid

Refernces