Decanoic acid, 6-hydroxy-

Base Information

• Chemical Name: Decanoic acid, 6-hydroxy-
• CAS No.: 16899-10-8
• Molecular Formula: C₁₀H₂₀O₃
• Molecular Weight: 188.267
• DSSTox Substance ID: DTXSID40884942
• Nikkaji Number: J262.023E
• Metabolomics Workbench ID: 1360
• Mol file: 16899-10-8.mol

Synonyms:Decanoic acid, 6-hydroxy-;16899-10-8;6-hydroxydecanoic acid;6-hydroxy-decanoic acid;6-hydroxycapric acid;LMFA01050154;SCHEMBL770961;DTXSID40884942;CHEBI:179161

Chemical Property of Decanoic acid, 6-hydroxy-

Chemical Property:

• Vapor Pressure: 2.52E-05mmHg at 25°C
• Refractive Index: 1.464
• Boiling Point: 320.8 °C at 760 mmHg
• Flash Point: 162 °C
• Density: 1.011 g/cm³
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 188.14124450
• Heavy Atom Count: 13
• Complexity: 134

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(CCCCC(=O)O)O

Technology Process of Decanoic acid, 6-hydroxy-

There total 8 articles about Decanoic acid, 6-hydroxy- 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: 100.0%

ε-decalactone (5579-78-2,80445-36-9) → 6-hydroxydecanoic acid (16899-10-8)

Guidance literature:

With potassium hydroxide; In water; at 20 ℃; for 12h;

DOI:10.1002/anie.201814016

Reference yield:

6-oxodecanoic acid (4144-60-9) → 6-hydroxydecanoic acid (16899-10-8)

Guidance literature:

With acetic acid; platinum; Hydrogenation;

Reference yield:

methyl-6-ketodecanoate (61820-00-6) → 6-hydroxydecanoic acid (16899-10-8)

Guidance literature:

Multi-step reaction with 3 steps

1: aq.-ethanolic KOH-solution

2: Raney nickel; ethanol / 125 °C / 102971 Torr / Hydrogenation

3: aqueous KOH-solution

With potassium hydroxide; ethanol; nickel;

DOI:10.1021/ja01601a049

upstream raw materials:

ε-decalactone

6-oxodecanoic acid

2-Buthylidenecyclohexanone

sodium decanoate

Downstream raw materials:

6-hydroxy-decanoic acid methyl ester

Refernces

• 1、 Schultz, Erica E.,Braffman, Nathaniel R.,Luescher, Michael U.,Hager, Harry H.,Balskus, Emily P.. "Biocatalytic Friedel–Crafts Alkylation Using a Promiscuous Biosynthetic Enzyme". . p. 3151 - 3155. Retrieved 2019.