Benzoic acid, 3,5-dihydroxy-, butyl ester, hemihydrate

Base Information

• Chemical Name: Benzoic acid, 3,5-dihydroxy-, butyl ester, hemihydrate
• CAS No.: 37622-59-6
• Molecular Formula: C22H30O9
• Molecular Weight: 210.23
• DSSTox Substance ID: DTXSID20191060
• Mol file: 37622-59-6.mol

Synonyms:alpha-Resorcylic acid, butyl ester, hemihydrate;BENZOIC ACID, 3,5-DIHYDROXY-, BUTYL ESTER, HEMIHYDRATE;3,5-Dihydroxybenzoic acid butyl ester hemihydrate;37622-59-6;DTXSID20191060;C11H14O4.1/2H2O;LS-37060;C11-H14-O4.1/2H2-O

Chemical Property of Benzoic acid, 3,5-dihydroxy-, butyl ester, hemihydrate

Chemical Property:

• Vapor Pressure: 3.65E-06mmHg at 25°C
• Boiling Point: 375.3°C at 760 mmHg
• Flash Point: 146.4°C
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 10
• Exact Mass: 438.18898253
• Heavy Atom Count: 31
• Complexity: 195

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOC(=O)C1=CC(=CC(=C1)O)O.CCCCOC(=O)C1=CC(=CC(=C1)O)O.O

Technology Process of Benzoic acid, 3,5-dihydroxy-, butyl ester, hemihydrate

There total 1 articles about Benzoic acid, 3,5-dihydroxy-, butyl ester, hemihydrate 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: 82.5%

3,5-Dihydroxybenzoic acid (99-10-5) + butan-1-ol (71-36-3) → n-butyl 3,5-dihydroxybenzoate (37622-59-6)

Guidance literature:

With sulfuric acid; for 5h; Reflux;

upstream raw materials:

3,5-Dihydroxybenzoic acid

butan-1-ol