Dioctyl terephthalate

Base Information

• Chemical Name: Dioctyl terephthalate
• CAS No.: 6422-86-2
• Deprecated CAS: 144981-82-8,1264916-12-2,1173194-29-0,1402971-35-0
• Molecular Formula: C24H38O4
• Molecular Weight: 390.563
• Hs Code.: 29173990
• European Community (EC) Number: 229-176-9
• UNII: 4VS908W98L
• DSSTox Substance ID: DTXSID7027625
• Nikkaji Number: J138.316G
• Wikipedia: Dioctyl_terephthalate
• Wikidata: Q5279087
• Metabolomics Workbench ID: 156006
• ChEMBL ID: CHEMBL1871770
• Mol file: 6422-86-2.mol

Synonyms:1,4-Benzenedicarboxylicacid, bis(2-ethylhexyl) ester (9CI);Terephthalic acid, bis(2-ethylhexyl) ester(6CI,7CI,8CI);Bis(2-ethylhexyl) terephthalate;Di-(2-ethylhexyl)terephthalate;Eastman 168;JP 110;Kodaflex DOTP;

Chemical Property of Dioctyl terephthalate

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Vapor Pressure: 1 mm Hg ( 217 °C)
• Melting Point: 30-34 °C(lit.)
• Refractive Index: n20/D 1.49(lit.)
• Boiling Point: 400 °C at 760 mmHg
• Flash Point: 208.4 °C
• PSA: 52.60000
• Density: 0.983 g/cm³
• LogP: 6.43300
• Storage Temp.: 2-8°C
• Solubility.: Aqueous Base (Slightly)
• Water Solubility.: insoluble
• XLogP3: 7.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 16
• Exact Mass: 390.27700969
• Heavy Atom Count: 28
• Complexity: 386

Purity/Quality:

99% min ^*data from raw suppliers

DioctylTerepthalate ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Plastics & Rubber -> Other Plasticizers
• Canonical SMILES: CCCCC(CC)COC(=O)C1=CC=C(C=C1)C(=O)OCC(CC)CCCC
• Uses: It is used primarily as a plasticizer for polyvinyl chloride and other polymers. DOTP can form a composite blend with polyaniline (PANI)-ethyene dimethacrylate (EDMA), which can be used in the fabrication of conductive films. It may also be used as a plasticizer with polyvinyl chloride (PVC) to form solutions for artificial intravessel plaque.

Technology Process of Dioctyl terephthalate

There total 15 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: 99.5%

2-Ethylhexyl alcohol (104-76-7) + terephthalic acid (100-21-0) → di(2-ethylhexyl)terephthalate (6422-86-2)

Guidance literature:

With phenol and titanium tetraisopropoxide resin; at 200 ℃; for 4h; Reagent/catalyst; Dean-Stark; Inert atmosphere;

Reference yield: 84.2%

2-Ethylhexyl alcohol (104-76-7) → di(2-ethylhexyl)terephthalate (6422-86-2)

Guidance literature:

With choline chloride; zinc diacetate; at 185 ℃; for 1h; Reagent/catalyst; Temperature; Time; Kinetics; Green chemistry;

DOI:10.1039/c8gc03791d

Reference yield:

2-Ethylhexyl alcohol (104-76-7) + terephthalic acid (100-21-0) + butan-1-ol (71-36-3) → di-n-butyl terephthalate (1962-75-0) + di(2-ethylhexyl)terephthalate (6422-86-2) + 1-butyl 4-(2-ethylhexyl)terephthalate

Guidance literature:

With methanesulfonic acid; at 210 ℃; for 4h; under 760.051 Torr; Inert atmosphere;

upstream raw materials:

terephthalic acid

2-Ethylhexyl alcohol

butan-1-ol

di-n-butyl terephthalate

Downstream raw materials:

di-n-butyl terephthalate

bis(2-ethylhexyl)cyclohexane-1,4-dicarboxylate

1,4-DBCH

diisobutyl terephthalate

Refernces

• 1、 Yuan, Lin,Hu, Yancheng,Zhao, Zhitong,Li, Guangyi,Wang, Aiqin,Cong, Yu,Wang, Feng,Zhang, Tao,Li, Ning. "Production of Copolyester Monomers from Plant-Based Acrylate and Acetaldehyde". supporting information. . Retrieved 2021/12/14.
• 2、 -. "ESTER COMPOUNDS AND THEIR APPLICATION AS PLASTICISER". Paragraph 0167-0168. . Retrieved 2021/06/01.