3-Hydroxyoctanoic acid

Base Information

• Chemical Name: 3-Hydroxyoctanoic acid
• CAS No.: 120659-38-3
• Molecular Formula: C₈H₁₆O₃
• Molecular Weight: 160.213
• European Community (EC) Number: 872-032-0
• UNII: 8M44B02CSJ
• DSSTox Substance ID: DTXSID00864487
• Nikkaji Number: J262.007C
• Wikipedia: 3-Hydroxyoctanoic_acid
• Wikidata: Q15410154
• Metabolomics Workbench ID: 1298
• Mol file: 120659-38-3.mol

Synonyms:3-hydroxyoctanoate;3-hydroxyoctanoic acid;3-hydroxyoctanoic acid, (S)-;3-hydroxyoctanoic acid, (S)-isomer

Chemical Property of 3-Hydroxyoctanoic acid

Chemical Property:

• Vapor Pressure: 0.000263mmHg at 25°C
• Boiling Point: 288.3°Cat760mmHg
• Flash Point: 142.4°C
• Density: 1.046g/cm³
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 160.109944368
• Heavy Atom Count: 11
• Complexity: 112

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCC(CC(=O)O)O

Technology Process of 3-Hydroxyoctanoic acid

There total 56 articles about 3-Hydroxyoctanoic 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: 100.0%

ethyl (-)-(3R)-3-hydroxyoctanoate (118918-31-3) → (R)-3-hydroxy-octanoic acid (44987-72-6,120659-38-3)

Guidance literature:

With sodium hydroxide;

DOI:10.1016/S0040-4039(98)00512-7

Reference yield: 99.0%

methyl (R)-(-)-3-hydroxydecanoate (78672-90-9,85549-54-8) → (R)-3-hydroxy-octanoic acid (44987-72-6,120659-38-3)

Guidance literature:

With lithium hydroxide; In tetrahydrofuran; methanol; water; at 20 ℃;

DOI:10.1039/c5ra20784c

Reference yield: 95.0%

(S)-1-((R)-4-benzyl-2-thioxothiazolidin-3-yl)-3-hydroxyoctan-1-one → (S)-3-hydroxyoctanoic acid (33796-86-0,120659-38-3)

Guidance literature:

With water; lithium hydroxide; In tetrahydrofuran; at 20 ℃; for 3h;

DOI:10.1016/j.tet.2014.05.107

upstream raw materials:

ethyl β-hydroxyoctanoate

3-oxooctanoic acid

5-((tert-butyldimethylsilyl)oxy)pent-3-yn-2-yl diethyl phosphate

ethyl (-)-(3R)-3-hydroxyoctanoate

Downstream raw materials:

methyl (R)-(-)-3-hydroxydecanoate

benzyl (3R)-3-hydroxyoctanoate

(S)-methyl 3-hydroxyoctanoate

(S)-3-hydroxyoctanoic acid benzyl ester