Ethylhexyl triazone

Base Information

• Chemical Name: Ethylhexyl triazone
• CAS No.: 88122-99-0
• Molecular Formula: C48H66N6O6
• Molecular Weight: 823.089
• Hs Code.: 29336990
• European Community (EC) Number: 402-070-1,618-112-9
• UNII: XQN8R9SAK4
• DSSTox Substance ID: DTXSID90868994
• Nikkaji Number: J428.962E
• Wikipedia: Ethylhexyl_triazone
• Wikidata: Q2455834
• Metabolomics Workbench ID: 155512
• ChEMBL ID: CHEMBL4462531
• Mol file: 88122-99-0.mol

Synonyms:ethylhexyl triazone;octyl triazone

Chemical Property of Ethylhexyl triazone

Chemical Property:

• Vapor Pressure: 0Pa at 20℃
• Melting Point: 128°
• Boiling Point: 869.5 °C at 760 mmHg
• PKA: 1.22±0.10(Predicted)
• Flash Point: 479.6 °C
• PSA: 153.66000
• Density: 1.129 g/cm³
• LogP: 12.44100
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Water Solubility.: 5-7μg/L at 25℃
• XLogP3: 14.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 30
• Exact Mass: 822.50438385
• Heavy Atom Count: 60
• Complexity: 1030

Purity/Quality:

Ethylhexyl Triazone ^*data from reagent suppliers

Safty Information:

• Statements: 53
• Safety Statements: 61-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(CC)COC(=O)C1=CC=C(C=C1)NC2=NC(=NC(=N2)NC3=CC=C(C=C3)C(=O)OCC(CC)CCCC)NC4=CC=C(C=C4)C(=O)OCC(CC)CCCC
• Uses: ethylhexyl triazone is the InCI name for octyltriazone. It is a uV filter and absorber. Clinical studies show high photostability and very high uVB-absorption capacity, particularly when compared to other popular uV filters. Studies also indicate that even low concentrations of ethylhexyltriazone in a sun care preparation can contribute significantly to the final product’s SPF. It appears to perform particularly well in synergy with zinc oxide. Ethylhexyl Triazone is used in sunscreen formulations as a UV filter to block out harmful ultraviolet light.

Technology Process of Ethylhexyl triazone

There total 9 articles about Ethylhexyl triazone 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: 96.4%

2-ethylhexyl 4-aminobenzoate (26218-04-2) + 1,3,5-trichloro-2,4,6-triazine (108-77-0) → ethylhexyl triazone (88122-99-0,116244-12-3)

Guidance literature:

In toluene; at 25 - 110 ℃; Inert atmosphere;

Reference yield: 96.0%

trimethyl 4,4',4''-(1,3,5-triazine-2,4,6-triyl)tris(azanediyl)tribenzoate + 2-Ethylhexyl alcohol (104-76-7) → ethylhexyl triazone (88122-99-0,116244-12-3)

Guidance literature:

With sodium methylate; In toluene; at 110 - 115 ℃; Reagent/catalyst;

Reference yield: 93.74%

4 ,4 ′,4 ″-((1,3,5-triazine-2,4,6-triyl)tris(azanediyl))tribenzoic acid (63557-10-8) + 2-Ethylhexyl alcohol (104-76-7) → ethylhexyl triazone (88122-99-0,116244-12-3)

Guidance literature:

With toluene-4-sulfonic acid; In toluene; at 105 - 115 ℃; Reagent/catalyst;

upstream raw materials:

2-ethylhexyl 4-aminobenzoate

1,3,5-trichloro-2,4,6-triazine

2-Ethylhexyl alcohol

4,4',4''-(1,3,5-triazine-2,4,6-triyltriimino)trisbenzoic acid triethyl ester

Refernces

• 1、 -. "Method for preparing ultraviolet light absorber UVT-150". Paragraph 0017; 0019; 0021. . Retrieved 2017/08/31.