Decyl 3,4,5-trihydroxybenzoate

Base Information

• Chemical Name: Decyl 3,4,5-trihydroxybenzoate
• CAS No.: 19198-75-5
• Molecular Formula: C17H26 O5
• Molecular Weight: 310.39
• European Community (EC) Number: 242-871-1
• UNII: GJW1U497V5
• DSSTox Substance ID: DTXSID10172742
• Nikkaji Number: J224.878F
• Wikidata: Q27279128
• ChEMBL ID: CHEMBL16101
• Mol file: 19198-75-5.mol

Synonyms:Decyl gallate;Decyl 3,4,5-trihydroxybenzoate;19198-75-5;Decyl-3,4,5-trihydroxybenzoate;Benzoic acid, 3,4,5-trihydroxy-, decyl ester;UNII-GJW1U497V5;GJW1U497V5;EINECS 242-871-1;decylgallat;SCHEMBL36930;CHEMBL16101;GALLIC ACID, DECYL ESTER;DTXSID10172742;C17H26O5;3,4,5-Trihydroxy-benzoic acid decyl ester;FT-0727152;A20746;Benzonitrile,2-amino-5-(1-methylethyl)-(9CI);Q27279128;Z3300507688

Chemical Property of Decyl 3,4,5-trihydroxybenzoate

Chemical Property:

• Vapor Pressure: 1.08E-10mmHg at 25°C
• Melting Point: 94-95 °C
• Boiling Point: 501.8°Cat760mmHg
• PKA: 7.93±0.25(Predicted)
• Flash Point: 178.4°C
• PSA: 86.99000
• Density: 1.144g/cm³
• LogP: 4.10090
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 11
• Exact Mass: 310.17802393
• Heavy Atom Count: 22
• Complexity: 295

Purity/Quality:

97% ^*data from raw suppliers

DECYL GALLATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Decyl 3,4,5-trihydroxybenzoate

There total 3 articles about Decyl 3,4,5-trihydroxybenzoate 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: 78.0%

1-Decanol (112-30-1) + 3,4,5-trihydroxybenzoic acid (149-91-7) → decyl gallate (19198-75-5)

Guidance literature:

With toluene-4-sulfonic acid; In 1,4-dioxane; at 160 ℃;

Reference yield: 48.0%

→ decyl gallate (19198-75-5)

Guidance literature:

With sulfuric acid; for 12h; Reflux;

Reference yield:

1-Decanol (112-30-1) + 3,4,5-trihydroxybenzoyl chloride (35388-10-4) → decyl gallate (19198-75-5)

Guidance literature:

upstream raw materials:

1-Decanol

3,4,5-trihydroxybenzoic acid

3,4,5-trihydroxybenzoyl chloride

Downstream raw materials:

decyl 3-O-(β-D-glucopyranosyl)-4,5-dihydroxybenzoate

decyl 3-O-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranoside)-4,5-dihydroxybenzoate