Methyl 10-hydroxystearate

Base Information

• Chemical Name: Methyl 10-hydroxystearate
• CAS No.: 2380-01-0
• Molecular Formula: C19H38 O3
• Molecular Weight: 314.509
• NSC Number: 135685
• DSSTox Substance ID: DTXSID50300249
• Nikkaji Number: J108.052K
• Wikidata: Q82043154
• Mol file: 2380-01-0.mol

Synonyms:Methyl 10-hydroxystearate;Methyl 10-hydroxyoctadecanoate;2380-01-0;Octadecanoic acid,10-hydroxy-, methyl ester;Octadecanoic acid, 10-hydroxy-, methyl ester;SCHEMBL2400690;DTXSID50300249;ZWOMTUQOMSFPSL-UHFFFAOYSA-N;NSC135685;10-Hydroxystearic acid, methyl ester;NSC-135685;Octadecanoic acid, 10-hydroxy-, methyl ester, (.+/-.)-

Chemical Property of Methyl 10-hydroxystearate

Chemical Property:

• Vapor Pressure: 4.63E-08mmHg at 25°C
• Melting Point: 54-55 °C
• Boiling Point: 400°Cat760mmHg
• PKA: 15.25±0.20(Predicted)
• Flash Point: 147.6°C
• PSA: 46.53000
• Density: 0.915g/cm³
• LogP: 5.39170
• XLogP3: 6.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 17
• Exact Mass: 314.28209507
• Heavy Atom Count: 22
• Complexity: 241

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCC(CCCCCCCCC(=O)OC)O

Technology Process of Methyl 10-hydroxystearate

There total 2 articles about Methyl 10-hydroxystearate 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:

acetic acid (64-19-7,77671-22-8) + (E)-9,10-epoxyoctadecanoic acid methyl ester (2500-59-6,2566-91-8,6084-76-0,38003-69-9,38003-75-7,38003-77-9,79854-41-4,112244-28-7) → 9-hydroxy-octadecanoic acid methyl ester (2447-53-2) + Methyl stearate (112-61-8) + methyl 10-hydroxystearate (2380-01-0) + methyl 9-oxooctadecanoate (1842-70-2)

Guidance literature:

Produkt₅: 10-Oxo-octadecansaeure-methylester.Hydrogenation;

DOI:10.1021/jo01134a013

Reference yield:

acetic acid (64-19-7,77671-22-8) + (Z)-9,10-epoxyoctadecanoic acid methyl ester (2500-59-6,2566-91-8,6084-76-0,38003-69-9,38003-75-7,38003-77-9,79854-41-4,112244-28-7) → 9-hydroxy-octadecanoic acid methyl ester (2447-53-2) + Methyl stearate (112-61-8) + methyl 10-hydroxystearate (2380-01-0) + methyl 9-oxooctadecanoate (1842-70-2)

Guidance literature:

Produkt₅: 10-Oxo-octadecansaeure-methylester.Hydrogenation;

DOI:10.1021/jo01134a013

Reference yield:

methyl 10-hydroxystearate (2380-01-0) → 10-hydroxystearic acid (638-26-6)

Guidance literature:

With potassium hydroxide;

upstream raw materials:

acetic acid

(E)-9,10-epoxyoctadecanoic acid methyl ester

(Z)-9,10-epoxyoctadecanoic acid methyl ester

Downstream raw materials:

10-hydroxystearic acid

C₂₉H₄₆O₆

10-iodostearic acid