6-Hydroxyoctanoic acid

Base Information

• Chemical Name: 6-Hydroxyoctanoic acid
• CAS No.: 64165-18-0
• Molecular Formula: C8H16 O3
• Molecular Weight: 160.213
• Hs Code.: 2918199090
• DSSTox Substance ID: DTXSID60982676
• Nikkaji Number: J262.010C
• Metabolomics Workbench ID: 1299
• Mol file: 64165-18-0.mol

Synonyms:6-hydroxyoctanoate;6-hydroxyoctanoic acid

Chemical Property of 6-Hydroxyoctanoic acid

Chemical Property:

• Vapor Pressure: 0.000214mmHg at 25°C
• Boiling Point: 291.2°C at 760 mmHg
• Flash Point: 144.1°C
• PSA: 57.53000
• Density: 1.046g/cm³
• LogP: 1.40230
• XLogP3: 1.1
• 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: CCC(CCCCC(=O)O)O

Technology Process of 6-Hydroxyoctanoic acid

There total 8 articles about 6-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:

Octanoic acid (124-07-2) → 6-hydroxyoctanoic acid (64165-18-0) + <+/->-7-hydroxyoctanoic acid (17173-14-7)

Guidance literature:

With D-glucose; cytochrome P₄₅₀ monooxygenase from Hal₁; In aq. phosphate buffer; at 30 ℃; for 24h; pH=8; Reagent/catalyst; regioselective reaction; Enzymatic reaction;

DOI:10.1002/anie.201901242

Reference yield:

Octanoic acid (124-07-2) → 6-hydroxyoctanoic acid (64165-18-0) + 5-hydroxyoctanoic acid (17369-50-5) + <+/->-7-hydroxyoctanoic acid (17173-14-7)

Guidance literature:

With D-glucose; cytochrome P₄₅₀ monooxygenase from JT; In aq. phosphate buffer; at 30 ℃; for 24h; pH=8; Reagent/catalyst; regioselective reaction; Enzymatic reaction;

DOI:10.1002/anie.201901242

Reference yield:

adipic acid monomethyl ester (627-91-8) + 2-Hydroxybutanoic acid (600-15-7,565-70-8) → 6-hydroxyoctanoic acid (64165-18-0)

Guidance literature:

With methanol; sodium hydroxide; sodium methylate; Multistep reaction; 1.) Pt, elecrolysis, 2 h, 2.) 100 deg C, 1 h;

DOI:10.1002/(SICI)1096-9888(199606)31:6<633::AID-JMS332>3.0.CO;2-L

upstream raw materials:

2-ethylidenecyclohexan-1-one

adipic acid monomethyl ester

2-Hydroxybutanoic acid

6-oxooctanoic acid

Downstream raw materials:

gamma-octalactone

4-Hydroxy-octansaeure