TRIOCTYL TRIMELLITATE

Base Information

• Chemical Name: TRIOCTYL TRIMELLITATE
• CAS No.: 89-04-3
• Deprecated CAS: 39373-94-9,76929-92-5,82249-09-0,76929-92-5,82249-09-0
• Molecular Formula: C33H54 O6
• Molecular Weight: 546.788
• Hs Code.: 2917399090
• European Community (EC) Number: 201-877-4
• UNII: 9GPJ04URH3
• DSSTox Substance ID: DTXSID0047533
• Nikkaji Number: J167.555I
• Wikidata: Q27272533
• ChEMBL ID: CHEMBL3186860
• Mol file: 89-04-3.mol

Synonyms:1,2,4-Benzenetricarboxylicacid, trioctyl ester (7CI,8CI,9CI); Trimellitic acid, trioctyl ester (6CI); ADKCizer C 8; Adekacizer C 8; Crodamol TOTM; Monocizer W 750; PX 338; Tri-n-octyltrimellitate; Trimellitate N 08; Trimex N 08; Trioctyl1,2,4-benzenetricarboxylate; Trioctyl trimellitate; Tris(octyl) trimellitate;Vinycizer W 700; W 700; W 750

Chemical Property of TRIOCTYL TRIMELLITATE

Chemical Property:

• Appearance/Colour: clear to light yellow oily liquid
• Vapor Pressure: 4.1E-14mmHg at 25°C
• Refractive Index: 1.482
• Boiling Point: 278 - 283
• Flash Point: 242.5°C
• PSA: 78.90000
• Density: 0.994g/cm³
• LogP: 9.23850
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
• Water Solubility.: 3.1ng/L at 25℃
• XLogP3: 11.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 27
• Exact Mass: 546.39203944
• Heavy Atom Count: 39
• Complexity: 634

Purity/Quality:

99.0% ^*data from raw suppliers

1,2,4-TrioctylEster1,2,4-BenzenetricarboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): UN NO.
• Hazard Codes: UN NO.

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Plastics & Rubber -> Other Plasticizers
• Canonical SMILES: CCCCCCCCOC(=O)C1=CC(=C(C=C1)C(=O)OCCCCCCCC)C(=O)OCCCCCCCC
• Uses: Isotope labelled 1,2,4-Trioctyl Ester 1,2,4-Benzenetricarboxylic Acid is a widely used and often incorporated in plasticizer for PVC for a higher molecular weight.

Technology Process of TRIOCTYL TRIMELLITATE

There total 3 articles about TRIOCTYL 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:

octanol (111-87-5) + trimellitic Anhydride (552-30-7,145253-53-8) → trioctyl 1,2,4-benzenetricarboxylate (89-04-3)

Guidance literature:

octanol; trimellitic Anhydride; at 119 ℃; for 2h; Inert atmosphere;

With titanium(IV) isopropylate; at 205 ℃; for 2h; Reagent/catalyst; Temperature; Inert atmosphere;

Reference yield:

octanol (111-87-5) + 1,2,4-benzene tricarboxylic acid (528-44-9) → trioctyl 1,2,4-benzenetricarboxylate (89-04-3)

Guidance literature:

With titanium(IV) oxide; at 330 ℃; Reflux;

Reference yield:

→ trioctyl 1,2,4-benzenetricarboxylate (89-04-3)

Guidance literature:

B.;

upstream raw materials:

octanol

trimellitic Anhydride

1,2,4-benzene tricarboxylic acid

Refernces

• 1、 -. "Method for producing aromatic acid esters through catalytic distillation". Paragraph 0027; 0028. . Retrieved 2017/06/13.