8-(3-Octylthiiran-2-yl)octanoic acid

Base Information

• Chemical Name: 8-(3-Octylthiiran-2-yl)octanoic acid
• CAS No.: 3075-89-6
• Molecular Formula: C₁₈H₃₄O₂S
• Molecular Weight: 314.533
• NSC Number: 189697
• DSSTox Substance ID: DTXSID40307141
• ChEMBL ID: CHEMBL28539
• Mol file: 3075-89-6.mol

Synonyms:8-(3-octylthiiran-2-yl)octanoic acid;3075-89-6;CHEMBL28539;NSC 189697;theta, iota-Epithiostearic acid;9,10-epithiostearic acid;SCHEMBL7814941;DTXSID40307141;BDBM50280209;NSC189697;8-(3-Octyl-thiiranyl)-octanoic acid;NSC-189697

Chemical Property of 8-(3-Octylthiiran-2-yl)octanoic acid

Chemical Property:

• Vapor Pressure: 3.21E-09mmHg at 25°C
• Boiling Point: 446.5°C at 760 mmHg
• Flash Point: 223.9°C
• Density: 0.981g/cm³
• XLogP3: 6.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 15
• Exact Mass: 314.22795150
• Heavy Atom Count: 21
• Complexity: 268

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCC1C(S1)CCCCCCCC(=O)O

Technology Process of 8-(3-Octylthiiran-2-yl)octanoic acid

There total 6 articles about 8-(3-Octylthiiran-2-yl)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:

ethyl erythro-10-bromo-9-mercaptooctadecanoate (94009-05-9,94009-14-0) → trans-9,10-epithiooctadecanoic acid (3075-89-6,19489-88-4,19489-89-5)

Guidance literature:

With sodium carbonate; at 40 ℃; for 6h;

Reference yield:

ethyl threo-10-bromo-9-mercaptooctadecanoate (94009-05-9,94009-14-0) → cis-9,10-epithiooctadecanoic acid (3075-89-6,19489-88-4,19489-89-5)

Guidance literature:

With sodium carbonate; at 40 ℃; for 6h;

Reference yield:

ethyl erythro-9-bromo-10-mercaptooctadecanoate (94009-01-5,94009-09-3) → trans-9,10-epithiooctadecanoic acid (3075-89-6,19489-88-4,19489-89-5)

Guidance literature:

With sodium carbonate; at 40 ℃; for 6h;

upstream raw materials:

ethyl erythro-10-bromo-9-mercaptooctadecanoate

ethyl erythro-9-bromo-10-mercaptooctadecanoate

ethyl threo-10-bromo-9-mercaptooctadecanoate

ethyl threo-9-bromo-10-mercaptooctadecanoate

Downstream raw materials:

methyl erythro-9-anilino-10-mercaptooctadecanoate

methyl erythro-10-anilino-9-mercaptooctadecanoate

methyl trans-9,10-epithiooctadecanoate

Refernces