Octyl 3,4-dihydroxybenzoate

Base Information

• Chemical Name: Octyl 3,4-dihydroxybenzoate
• CAS No.: 1152-47-2
• Molecular Formula: C15H22O4
• Molecular Weight: 266.337
• DSSTox Substance ID: DTXSID10435006
• Nikkaji Number: J535.556G
• Wikidata: Q82249662
• ChEMBL ID: CHEMBL117448
• Mol file: 1152-47-2.mol

Synonyms:Octyl 3,4-dihydroxybenzoate;3,4-Dihydroxy-benzoic acid octyl ester;1152-47-2;Benzoic acid, 3,4-dihydroxy-, octyl ester;CHEMBL117448;SCHEMBL2937491;DTXSID10435006;BDBM50486239;3,4-dihydroxybenzoic acid octyl ester

Chemical Property of Octyl 3,4-dihydroxybenzoate

Chemical Property:

• XLogP3: 4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 266.15180918
• Heavy Atom Count: 19
• Complexity: 255

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Octyl 3,4-dihydroxybenzoate

There total 1 articles about Octyl 3,4-dihydroxybenzoate 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: 85.0%

3,4-Dihydroxybenzoic acid (99-50-3) + octanol (111-87-5) → octyl 3,4-dihydroxybenzoate (1152-47-2)

Guidance literature:

With sulfuric acid; In tetrahydrofuran; at 45 - 65 ℃; for 120 - 240h; Darkness; Molecular sieve;

DOI:10.1016/j.foodchem.2015.07.119

upstream raw materials:

3,4-Dihydroxybenzoic acid

octanol