6-Hydroxydodecanoic acid

Base Information

• Chemical Name: 6-Hydroxydodecanoic acid
• CAS No.: 35875-13-9
• Molecular Formula: C12H24O3
• Molecular Weight: 216.321
• DSSTox Substance ID: DTXSID60275398
• Nikkaji Number: J262.041C
• ChEMBL ID: CHEMBL4279005
• Mol file: 35875-13-9.mol

Synonyms:6-HYDROXYDODECANOIC ACID;35875-13-9;6-hydroxylauric acid;SCHEMBL667755;CHEMBL4279005;DTXSID60275398

Chemical Property of 6-Hydroxydodecanoic acid

Chemical Property:

• Vapor Pressure: 2.67E-06mmHg at 25°C
• Melting Point: 56-58 °C
• Boiling Point: 350.2°C at 760 mmHg
• PKA: 4.75±0.10(Predicted)
• Flash Point: 179.8°C
• PSA: 57.53000
• Density: 0.987g/cm³
• LogP: 2.96270
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 10
• Exact Mass: 216.17254462
• Heavy Atom Count: 15
• Complexity: 157

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 6-Hydroxydodecanoic acid

There total 4 articles about 6-Hydroxydodecanoic 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: 5.0%

R-12-hydroxyoctadecanoic acid (106-14-9,18417-00-0,36377-33-0,5762-36-7,78642-86-1,8039-23-4,27924-99-8,860114-96-1) → 5-hexyldihydro-2(3H)-furanone (706-14-9,2825-92-5) + 4-hydroxydecanoic acid (17369-51-6,30100-79-9) + 6-hydroxydodecanoic acid (35875-13-9) + 5-n-hexyl-tetrahydrofuran-2-acetic acid

Guidance literature:

With ammonium sulfate; disodium hydrogenphosphate; potassium dihydrogenphosphate; calcium chloride; In ethanol; water; at 25 ℃; for 60h; Further byproducts given; Bacillus lentus NRRL B-14864, pH=7.2;

DOI:10.1007/BF02541090

Reference yield: 5.0%

R-12-hydroxyoctadecanoic acid (106-14-9,18417-00-0,36377-33-0,5762-36-7,78642-86-1,8039-23-4,27924-99-8,860114-96-1) → 5-hexyldihydro-2(3H)-furanone (706-14-9,2825-92-5) + 4-hydroxydecanoic acid (17369-51-6,30100-79-9) + 4-oxodecanoic acid (4144-54-1) + 6-hydroxydodecanoic acid (35875-13-9) + 5-n-hexyl-tetrahydrofuran-2-acetic acid

Guidance literature:

With ammonium sulfate; disodium hydrogenphosphate; potassium dihydrogenphosphate; calcium chloride; In ethanol; water; at 25 ℃; for 60h; Bacillus lentus NRRL B-14864, pH=7.2; other strains of bacteria;

DOI:10.1007/BF02541090

Reference yield:

lauric acid (143-07-7) → 5-hydroxydodecanoic acid (7779-95-5) + 6-hydroxydodecanoic acid (35875-13-9)

Guidance literature:

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

DOI:10.1002/anie.201901242

upstream raw materials:

R-12-hydroxyoctadecanoic acid

lauric acid

Refernces

• 1、 Huang, J.-K.,Keudell, K. C.,Zhao, J.,Klopfenstein, W. E.,Wen, L.,et al.. "Microbial Transformation of 12-Hydroxyoctadecanoic Acid to 5-n-Hexyl-Tetrahydrofuran-2-Acetic Acid". . p. 323 - 326. Retrieved 2007/10/02.