5-(Octadecyloxy)isophthalic acid

Base Information

• Chemical Name: 5-(Octadecyloxy)isophthalic acid
• CAS No.: 143294-86-4
• Molecular Formula: C₂₆H₄₂O₅
• Molecular Weight: 434.616
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID10404994
• Nikkaji Number: J638.131F
• Wikidata: Q82209367
• Mol file: 143294-86-4.mol

Synonyms:5-octadecyloxyisophthalic acid;5OIA compound

Chemical Property of 5-(Octadecyloxy)isophthalic acid

Chemical Property:

• Melting Point: 157-161 °C(lit.)
• Boiling Point: 587.3±35.0 °C(Predicted)
• PKA: 3.38±0.10(Predicted)
• PSA: 83.83000
• Density: 1.036±0.06 g/cm3(Predicted)
• LogP: 7.72330
• XLogP3: 9.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 20
• Exact Mass: 434.30322444
• Heavy Atom Count: 31
• Complexity: 443

Purity/Quality:

97% ^*data from raw suppliers

5-STEARYLOXYISOPHTHALIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1)C(=O)O)C(=O)O

Technology Process of 5-(Octadecyloxy)isophthalic acid

There total 1 articles about 5-(Octadecyloxy)isophthalic 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:

Dimethyl 5-hydroxyisophthalate (13036-02-7) + 1-Bromooctadecane (112-89-0) → 5-(octadecyloxy)isophthalic acid (143294-86-4)

Guidance literature:

Multistep reaction; 2) hydrolysis;

DOI:10.1039/c39940002097

upstream raw materials:

Dimethyl 5-hydroxyisophthalate

1-Bromooctadecane