3-(2-Hydroxyoctyl)oxiran-2-octanoic acid

Base Information

• Chemical Name: 3-(2-Hydroxyoctyl)oxiran-2-octanoic acid
• CAS No.: 47244-76-8
• Molecular Formula: C₁₈H₃₄O₄
• Molecular Weight: 314.466
• European Community (EC) Number: 256-303-5
• DSSTox Substance ID: DTXSID80963780
• Nikkaji Number: J452.983I
• Mol file: 47244-76-8.mol

Synonyms:3-(2-Hydroxyoctyl)oxiran-2-octanoic acid;47244-76-8;EINECS 256-303-5;9,10-Epoxy-12-hydroxyoctadecanoic acid;8-[3-(2-hydroxyoctyl)oxiran-2-yl]octanoic acid;SCHEMBL11273310;DTXSID80963780;AKOS030240420

Chemical Property of 3-(2-Hydroxyoctyl)oxiran-2-octanoic acid

Chemical Property:

• Vapor Pressure: 1.8E-10mmHg at 25°C
• Boiling Point: 461.8°C at 760 mmHg
• Flash Point: 156.7°C
• PSA: 70.06000
• Density: 1.014g/cm³
• LogP: 4.29050
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 15
• Exact Mass: 314.24570956
• Heavy Atom Count: 22
• Complexity: 293

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCC(CC1C(O1)CCCCCCCC(=O)O)O

Technology Process of 3-(2-Hydroxyoctyl)oxiran-2-octanoic acid

There total 5 articles about 3-(2-Hydroxyoctyl)oxiran-2-octanoic 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: 84.0%

(Z)-12-hydroxyoctadec-9-enoic acid (81212-19-3,27925-02-6,7431-95-0,84799-84-8) → azelaic acid (123-99-9,26776-28-3) + β-hydroxynonanoic acid (33796-87-1,45023-83-4,88930-09-0,40165-87-5) + 12-hydroxy-9,10-epoxyoctadecanoic acid (47244-76-8,118201-32-4)

Guidance literature:

With cetylpyridinium peroxotungstophosphate; dihydrogen peroxide; In water; at 80 ℃; for 1h;

DOI:10.1007/s11172-006-0047-z

Reference yield:

methyl (12R)-hydroxyoctadec-(9E)-enoate (7706-01-6) → 12-hydroxy-9,10-epoxyoctadecanoic acid (47244-76-8,118201-32-4)

Guidance literature:

With Perbenzoic acid; chloroform; lower-melting form; Verseifen des Reaktionsprodukts mit alkoh. Kalilauge bei Raumtemperatur;

Reference yield:

→ D-ribo-9,10-epoxy-12-hydroxy-octadecanoic acid (47244-76-8,118201-32-4)

Guidance literature:

With potassium hydroxide;

upstream raw materials:

methyl (12R)-hydroxyoctadec-(9E)-enoate

(Z)-12-hydroxyoctadec-9-enoic acid

Refernces