Isobutyl gallate

Base Information

• Chemical Name: Isobutyl gallate
• CAS No.: 3856-05-1
• Molecular Formula: C11H14 O5
• Molecular Weight: 226.229
• Hs Code.: 2918290000
• European Community (EC) Number: 223-363-9
• NSC Number: 147482
• UNII: SR016RR89P
• DSSTox Substance ID: DTXSID00191886
• Nikkaji Number: J208.550J
• Wikidata: Q83064475
• Mol file: 3856-05-1.mol

Synonyms:isobutyl gallate

Chemical Property of Isobutyl gallate

Chemical Property:

• Vapor Pressure: 1.65E-08mmHg at 25°C
• Melting Point: 142 °C
• Boiling Point: 444.3°Cat760mmHg
• PKA: 7.89±0.25(Predicted)
• Flash Point: 175.4°C
• PSA: 86.99000
• Density: 1.311g/cm³
• LogP: 1.61620
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 226.08412354
• Heavy Atom Count: 16
• Complexity: 229

Purity/Quality:

98%,99%, ^*data from raw suppliers

Isobutyl Gallate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Isobutyl gallate

There total 1 articles about Isobutyl gallate 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: 94.0%

2-methyl-propan-1-ol (78-83-1) + 3,4,5-trihydroxybenzoic acid (149-91-7) → isobutyl 3,4,5-trihydroxybenzoate (3856-05-1)

Guidance literature:

With brominated hydrophobically modified sulfonic acid resin; at 110 ℃; for 8h;

upstream raw materials:

2-methyl-propan-1-ol

3,4,5-trihydroxybenzoic acid

Refernces

• 1、 Arsianti, Ade,Astuty, Hendri,Fadilah,Simadibrata, Daniel Martin,Adyasa, Zoya Marie,Amartya, Daniel,Bahtiar, Anton,Tanimoto, Hiroki,Kakiuchi, Kiyomi. "Synthesis and in vitro antimalarial activity of alkyl esters of gallate as a growth inhibitor of plasmodium falciparum". . p. 655 - 662. Retrieved 2018/05/28.
• 2、 Shi, Zhi-Hao,Li, Nian-Guang,Tang, Yu-Ping,Shi, Qian-Ping,Zhang, Wei,Zhang, Peng-Xuan,Li, Wei,Dong, Ze-Xi,Duan, Jin-Ao. "Microwave-assisted esterification of gallic acid". . p. 1351 - 1354. Retrieved 2016/06/13.