12,13-Dihydroxy stearic acid

Base Information

• Chemical Name: 12,13-Dihydroxy stearic acid
• CAS No.: 585-20-6
• Molecular Formula: C₁₈H₃₆O₄
• Molecular Weight: 316.481
• DSSTox Substance ID: DTXSID00415256
• Metabolomics Workbench ID: 2182
• Mol file: 585-20-6.mol

Synonyms:12,13-dihydroxy stearic acid;12,13-dihydroxyoctadecanoic acid;12,13-dihydroxy-octadecanoic acid;585-20-6;12,13-dihydroxystearic acid;SCHEMBL1568560;DTXSID00415256;CHEBI:186713;12,13-dihydroxyoctade-canoic acid;LMFA02000146

Chemical Property of 12,13-Dihydroxy stearic acid

Chemical Property:

• XLogP3: 5.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 16
• Exact Mass: 316.26135963
• Heavy Atom Count: 22
• Complexity: 256

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(C(CCCCCCCCCCC(=O)O)O)O

Technology Process of 12,13-Dihydroxy stearic acid

There total 26 articles about 12,13-Dihydroxy stearic 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-12-Octadecensaeure (13126-38-0) → D-erythro-12,13-dihydroxy-octadecanoic acid (585-20-6,38003-72-4,73837-56-6)

Guidance literature:

With Peroxyformic acid; folgende Verseifung;

DOI:10.1021/ja01150a087

Reference yield:

threo-12,13-Dihydroxy-octadec-5-insaeure-(1) (95284-21-2) → (+/-)-threo-12,13-Dihydroxy-octadecansaeure (585-20-6,38003-72-4,73837-56-6)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol;

DOI:10.1039/jr9630004363

Reference yield:

(+/-)-threo-12,13-Dihydroxy-octadec-9-ensaeure (7293-40-5,23201-88-9,53734-71-7,59981-82-7,59981-83-8,59981-84-9,59981-85-0,73889-55-1) → (+/-)-threo-12,13-Dihydroxy-octadecansaeure (585-20-6,38003-72-4,73837-56-6)

Guidance literature:

With hydrogen; platinum(IV) oxide; In ethyl acetate;

DOI:10.1039/jr9610005270

upstream raw materials:

trans-12-Octadecensaeure

(12S,13R,Z)-12,13-dihydroxyoctadec-9-enoic acid

petroselinic acid

cis-12,13-epoxyoctadeca-cis-9-enoic acid