Dioctyl terephthalate

Base Information

• Chemical Name: Dioctyl terephthalate
• CAS No.: 4654-26-6
• Molecular Formula: C24H38O4
• Molecular Weight: 390.563
• Hs Code.: 2917399090
• European Community (EC) Number: 225-091-6
• UNII: EZS4NL164S
• DSSTox Substance ID: DTXSID3021699
• Nikkaji Number: J297.871G
• Wikipedia: Dioctyl_terephthalate
• Wikidata: Q27277450
• Mol file: 4654-26-6.mol

Synonyms:Dioctyl terephthalate;4654-26-6;dioctyl benzene-1,4-dicarboxylate;di-n-octyl terephthalate;1,4-Benzenedicarboxylic acid, dioctyl ester;Di-n-octylterephthalate;EINECS 225-091-6;UNII-EZS4NL164S;BRN 2225100;EZS4NL164S;SCHEMBL43953;Terephthalic acid dioctyl ester;DTXSID3021699;Terephthalic acid, dioctyl ester;AKOS015899752;LS-29771;CS-0166856;Terephthalic acid, dioctyl ester (6CI,7CI,8CI);Q27277450

Chemical Property of Dioctyl terephthalate

Chemical Property:

• Vapor Pressure: 2.27E-07mmHg at 25°C
• Melting Point: 41-42 °C
• Refractive Index: 1.49
• Boiling Point: 423.216 °C at 760 mmHg
• Flash Point: 226.171 °C
• PSA: 52.60000
• Density: 0.985 g/cm³
• LogP: 6.72120
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 9.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 18
• Exact Mass: 390.27700969
• Heavy Atom Count: 28
• Complexity: 361

Purity/Quality:

98%,99%, ^*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)C(=O)OCCCCCCCC

Technology Process of Dioctyl terephthalate

There total 6 articles about Dioctyl 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: 63.0%

octanol (111-87-5) + terephthaloyl chloride (100-20-9) → dioctyl terephthalate (4654-26-6)

Guidance literature:

With dmap; triethylamine; In toluene; at 100 ℃; for 48h;

DOI:10.1246/bcsj.20180261

Reference yield: 62.0%

octanol (111-87-5) + terephthalic acid (100-21-0) → dioctyl terephthalate (4654-26-6)

Guidance literature:

With silica gel; zinc trifluoromethanesulfonate; for 0.1h; microwave irradiation;

Reference yield:

octanol (111-87-5) + diethyl terephthalate (636-09-9) → dioctyl terephthalate (4654-26-6) + ethyl octyl terephthalate

Guidance literature:

With 4 A molecular sieve; Mucor miehei lipase; In di-isopropyl ether; at 60 ℃; for 240h;

DOI:10.1016/S0040-4020(01)81352-1

upstream raw materials:

octanol

terephthaloyl chloride

diethyl terephthalate

1-bromo-octane

Downstream raw materials:

terephthalic acid monooctyl ester

Refernces

• 1、 Shimasaki, Toshiaki,Ohno, Yuki,Tanaka, Mao,Amano, Masato,Sasaki, Yuta,Shibata, Hirobumi,Watanabe, Motonori,Teramoto, Naozumi,Shibata, Mitsuhiro. "Synthesis of perfluoroalkyl gelators and their selective gelation ability for fluorinated solvents1". . p. 97 - 104. Retrieved 2019/01/28.
• 2、 Martin-Munoz, Maria Gema,Fierros, Maria,Rodriguez-Franco, Maria Isabel,Conde, Santiago. "Mucor miehei lipase catalyzed transesterifications on aromatic and heteroaromatic substrates. A general survey". . p. 6999 - 7008. Retrieved 2007/10/02.