Oxiraneoctanoic acid, 3-octyl-, trans-

Base Information

• Chemical Name: Oxiraneoctanoic acid, 3-octyl-, trans-
• CAS No.: 13980-07-9
• Molecular Formula: C₁₈H₃₄O₃
• Molecular Weight: 298.466
• UNII: W5XZ5I3GKN
• Nikkaji Number: J679.990F
• Mol file: 13980-07-9.mol

Synonyms:Oxiraneoctanoic acid, 3-octyl-, trans-;13980-07-9;rac trans-9,10-Epoxystearic Acid;W5XZ5I3GKN;9,10-Epoxystearic acid, trans-;8-[(2S,3S)-3-OCTYLOXIRAN-2-YL]OCTANOIC ACID;trans-9,10-Epoxyoctadecanoate;trans-DL-9,10-Epoxystearic Acid;Octadecanoic acid, 9,10-epoxy-, trans-;AI3-26308;UNII-W5XZ5I3GKN;SCHEMBL2728170

Chemical Property of Oxiraneoctanoic acid, 3-octyl-, trans-

Chemical Property:

• Vapor Pressure: 2.46E-08mmHg at 25°C
• Melting Point: 54-56°C
• Boiling Point: 422.9°Cat760mmHg
• Flash Point: 141.1°C
• PSA: 49.83000
• Density: 0.956g/cm³
• LogP: 5.31970
• Storage Temp.: -20?C Freezer
• Solubility.: DMSO (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
• XLogP3: 6.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 15
• Exact Mass: 298.25079494
• Heavy Atom Count: 21
• Complexity: 265

Purity/Quality:

97% ^*data from raw suppliers

rac trans-9,10-epoxystearic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCC1C(O1)CCCCCCCC(=O)O
• Isomeric SMILES: CCCCCCCC[C@H]1[C@@H](O1)CCCCCCCC(=O)O
• Uses: An epoxy fatty acid found in Pneumocystis carinii lipids.

Technology Process of Oxiraneoctanoic acid, 3-octyl-, trans-

There total 22 articles about Oxiraneoctanoic acid, 3-octyl-, trans- 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: 98.6%

cis-Octadecenoic acid (112-80-1,2027-47-6) → 9,10-epoxystearic acid (2443-39-2,13980-07-9,16833-55-9,17682-84-7,17682-85-8,24560-98-3,38003-74-6,38003-76-8)

Guidance literature:

With tert.-butylhydroperoxide; In decane; at 20 ℃; for 7h; Reagent/catalyst; Time; Catalytic behavior;

DOI:10.1039/c5nj00744e

Reference yield: 90.0%

Elaidic Acid (112-79-8) → 9,10-epoxystearic acid (2443-39-2,13980-07-9,16833-55-9,17682-84-7,17682-85-8,24560-98-3,38003-74-6,38003-76-8)

Guidance literature:

With HOF* CH₃CN; for 0.166667h; Ambient temperature;

DOI:10.1016/0040-4039(95)02180-9

Reference yield: 58.2%

sodium Oleate (143-19-1) → 9,10-epoxystearic acid (2443-39-2,13980-07-9,16833-55-9,17682-84-7,17682-85-8,24560-98-3,38003-74-6,38003-76-8)

Guidance literature:

With tert.-butylhydroperoxide; Tween 20; N-2-hydroxyethylpiperazine-N'-2-ethanesulfonic acid; peroxygenase; In water; at 25 ℃; pH=7.5; Product distribution / selectivity;

upstream raw materials:

Elaidic acid

trans-10-octadecenoic acid

cis-Octadecenoic acid

Elaidic Acid

Downstream raw materials:

(+/-)-8-(5c-octyl-2ξ-phenyl-[1,3]dioxolan-4ρ!-yl)-octanoic acid methyl ester

erythro-9,10-dihydroxyoctadecanoic acid methyl ester

(+/-)-erythro-10-Chlor-9-hydroxy-octadecansaeure

erythro-9,10-dihydroxystearic acid