4-Hydroxyoctanoic acid

Base Information

• Chemical Name: 4-Hydroxyoctanoic acid
• CAS No.: 7779-55-7
• Molecular Formula: C₈H₁₆O₃
• Molecular Weight: 160.213
• DSSTox Substance ID: DTXSID00415599
• Nikkaji Number: J262.008A
• Metabolomics Workbench ID: 1418
• Mol file: 7779-55-7.mol

Synonyms:4-hydroxyoctanoic acid;7779-55-7;Octanoic acid, 4-hydroxy-;4-hydroxy-octanoic acid;LMFA01050226;4-hydroxyoctanoicacid;4-hydroxycaprylic acid;SCHEMBL239055;DTXSID00415599;CHEBI:180040;AKOS008148155;CS-0297404;EN300-74543;Z838959646

Chemical Property of 4-Hydroxyoctanoic acid

Chemical Property:

• PSA: 57.53000
• LogP: 1.40230
• XLogP3: 1.3
• 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:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(CCC(=O)O)O

Technology Process of 4-Hydroxyoctanoic acid

There total 6 articles about 4-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: 53.0%

→ 4-Hydroxy-octansaeure (7779-55-7)

Guidance literature:

In tetrahydrofuran; at -78 - 15 ℃; for 18h;

Reference yield:

4-oxooctanoic acid (4316-44-3) → (R)-4-Hydroxy-octanoic acid (7779-55-7)

Guidance literature:

With potassium hydroxide; potassium dihydrogenphosphate; D-glucose; magnesium sulfate; In water; at 25 - 28 ℃; for 48h; bakers' yeast, pH 6-7;

DOI:10.1021/jo00228a039

Reference yield:

(R)-non-1-en-5-ol (940912-04-9) → (R)-4-Hydroxy-octanoic acid (7779-55-7)

Guidance literature:

(R)-non-1-en-5-ol; With osmium(VIII) oxide; In N,N-dimethyl-formamide; tert-butyl alcohol; at 20 ℃; for 0.0833333h;

With oxone; In N,N-dimethyl-formamide; tert-butyl alcohol; at 20 ℃; chemoselective reaction;

DOI:10.1039/b801514g

upstream raw materials:

6-hydroxyoctanoic acid

4-oxooctanoic acid

(R)-non-1-en-5-ol