Tris(2-ethylhexyl) trimellitate

Base Information

• Chemical Name: Tris(2-ethylhexyl) trimellitate
• CAS No.: 3319-31-1
• Deprecated CAS: 113816-97-0,131734-05-9,144470-65-5,75882-00-7,82643-26-3,59941-46-7,2093948-34-4,131734-05-9,144470-65-5,75882-00-7,82643-26-3
• Molecular Formula: C33H54O6
• Molecular Weight: 546.788
• Hs Code.: 29173990
• European Community (EC) Number: 222-020-0,617-369-4
• UNII: 378539Q830
• DSSTox Substance ID: DTXSID9026265
• Nikkaji Number: J2.177F
• Wikidata: Q27256655
• ChEMBL ID: CHEMBL1425782
• Mol file: 3319-31-1.mol

Synonyms:Kodaflex TOTM;TEHM;tri-(2-ethylhexyl) trimellitate;tri-(2-ethylhexyl)trimellitate;tris(2-ethylhexyl)trimellitate

Chemical Property of Tris(2-ethylhexyl) trimellitate

Chemical Property:

• Appearance/Colour: viscous yellow liquid
• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 46oC
• Refractive Index: n20/D 1.485(lit.)
• Boiling Point: 414 °C at 760 mmHg
• Flash Point: 238.3 °C
• PSA: 78.90000
• Density: 0.992 g/cm³
• LogP: 8.80620
• Storage Temp.: Room Temperature
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• Water Solubility.: 1.8ng/L at 25℃
• XLogP3: 10.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 24
• Exact Mass: 546.39203944
• Heavy Atom Count: 39
• Complexity: 677

Purity/Quality:

99% ^*data from raw suppliers

Trioctyl trimellitate ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Plastics & Rubber -> Other Plasticizers
• Canonical SMILES: CCCCC(CC)COC(=O)C1=CC(=C(C=C1)C(=O)OCC(CC)CCCC)C(=O)OCC(CC)CCCC
• Uses: TRIOCTYL TRIMELLITATE is a plasticizer that was evaluated for endocrine disrupting activities through estrogen receptor alpha binding assay. TOTM has been used as reference fluid for viscosity measurements using vibrating wire viscometer, to evaluate its use as a lubricant in the polymer industry.

Technology Process of Tris(2-ethylhexyl) trimellitate

There total 5 articles about Tris(2-ethylhexyl) trimellitate 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: 97.0%

2-Ethylhexyl alcohol (104-76-7) + 1,2,4-benzene tricarboxylic acid (528-44-9) → Hatcol 200 (3319-31-1)

Guidance literature:

With titanium(IV) isopropylate; at 230 ℃; for 6h; Inert atmosphere; Large scale;

Reference yield: 93.0%

2-Ethylhexyl alcohol (104-76-7) + trimellitic Anhydride (552-30-7,145253-53-8) → Hatcol 200 (3319-31-1)

Guidance literature:

With methanesulfonic acid; In water; at 180 - 208 ℃; for 3h; Reagent/catalyst; Temperature; Inert atmosphere;

Reference yield:

2-Ethylhexyl alcohol (104-76-7) + benzene-1,2,4-tricarboxylic acid trimethyl ester (2459-10-1) → Hatcol 200 (3319-31-1)

Guidance literature:

With titanium(IV) isopropylate; at 220 ℃; for 2h; under 760.051 Torr; Time; Inert atmosphere;

upstream raw materials:

2-Ethylhexyl alcohol

trimellitic Anhydride

benzene-1,2,4-tricarboxylic acid trimethyl ester

1,2,4-benzene tricarboxylic acid

Refernces

• 1、 -. "CYCLOHEXANE TRIESTER BASED PLASTICIZER COMPOSITION AND RESIN COMPOSITION COMPRISING THE SAME". Paragraph 0094; 0107. . Retrieved 2021/01/13.
• 2、 -. "METHOD FOR PRODUCING CARBOXYLIC ACID ESTERS AND THE USE THEREOF AS PLASTICIZERS". Paragraph 0211. . Retrieved 2016/10/04.