Diisobutyl terephthalate

Base Information

• Chemical Name: Diisobutyl terephthalate
• CAS No.: 18699-48-4
• Molecular Formula: C16H22 O4
• Molecular Weight: 278.348
• Hs Code.: 2917399090
• European Community (EC) Number: 242-512-9
• DSSTox Substance ID: DTXSID60171962
• Nikkaji Number: J61.327D
• Wikidata: Q83042101
• Mol file: 18699-48-4.mol

Synonyms:Diisobutyl terephthalate;18699-48-4;bis(2-methylpropyl) benzene-1,4-dicarboxylate;1,4-Benzenedicarboxylic acid, bis(2-methylpropyl) ester;TEREPHTHALIC ACID, DIISOBUTYL ESTER;1,4-Benzenedicarboxylicacid, 1,4-bis(2-methylpropyl) ester;EINECS 242-512-9;BRN 2467978;diisobutylterephthalate;SCHEMBL110051;DTXSID60171962;terephthalic acid diisobutyl ester;di-(2-Methylpropyl) terephthalate;AMY28244;MFCD01682719;AKOS028108411;DS-19354;LS-148741;CS-0160333;A907634;1,4-Benzenedicarboxylic acid 1,4-bis(2-methylpropyl) ester

Chemical Property of Diisobutyl terephthalate

Chemical Property:

• Vapor Pressure: 0.00114mmHg at 25°C
• Melting Point: 55°C
• Refractive Index: 1.4350 (estimate)
• Boiling Point: 300.1°Cat760mmHg
• Flash Point: 156.6°C
• PSA: 52.60000
• Density: 1.05g/cm³
• LogP: 3.31220
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 278.15180918
• Heavy Atom Count: 20
• Complexity: 282

Purity/Quality:

97% ^*data from raw suppliers

Diisobutylterephthalate 97% ^*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)C(=O)OCC(C)C

Technology Process of Diisobutyl terephthalate

There total 9 articles about Diisobutyl terephthalate 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:

1,4-benzenedicarboxylic acid dimethyl ester (120-61-6) + 2-methyl-propan-1-ol (78-83-1) → diisobutyl terephthalate (18699-48-4) + methyl isobutyl terephthalate

Guidance literature:

With Nafion resin; at 120 - 137 ℃; Overall yield = 93.1 %; Overall yield = 77.739 g;

Reference yield:

1,4-benzenedicarboxylic acid dimethyl ester (120-61-6) + 2-methyl-propan-1-ol (78-83-1) + butan-1-ol (71-36-3) → n-butyl isobutyl terephthalate (1020110-91-1) + di-n-butyl terephthalate (1962-75-0) + diisobutyl terephthalate (18699-48-4) + methyl isobutyl terephthalate

Guidance literature:

With Amberlyst 35 resin; at 120 - 140 ℃; Overall yield = 92.2 %; Overall yield = 76.987 g;

Reference yield:

1,4-benzenedicarboxylic acid dimethyl ester (120-61-6) + 2-methyl-propan-1-ol (78-83-1) + butan-1-ol (71-36-3) → n-butyl isobutyl terephthalate (1020110-91-1) + n-Butyl methyl terephthalate (52392-55-9) + di-n-butyl terephthalate (1962-75-0) + diisobutyl terephthalate (18699-48-4) + methyl isobutyl terephthalate

Guidance literature:

With Amberlyst 36 resin; at 120 - 155 ℃; Overall yield = 90.4 %; Overall yield = 75.484 g;

upstream raw materials:

1,4-benzenedicarboxylic acid dimethyl ester

2-methyl-propan-1-ol

1,4-bis(trichloromethyl)benzene

terephthaloyl chloride

Downstream raw materials:

N,N'-hexanediyl-bis-terephthalamic acid diisobutyl ester

terephthalic acid-chloride isobutyl ester

terephthalic acid monoisobutyl ester