Trimethylolethyl tribenzoate

Base Information

• Chemical Name: Trimethylolethyl tribenzoate
• CAS No.: 4196-87-6
• Molecular Formula: C26H24O6
• Molecular Weight: 432.473
• Hs Code.: 2916399090
• European Community (EC) Number: 224-080-3
• NSC Number: 166505
• UNII: 177275099B
• DSSTox Substance ID: DTXSID1024590
• Nikkaji Number: J224.989H
• Wikidata: Q27251873
• Mol file: 4196-87-6.mol

Synonyms:Trimethylolethyl tribenzoate;Trimethylolethane tribenzoate;4196-87-6;CCRIS 4585;EINECS 224-080-3;NSC 166505;1,3-Propanediol, 2-(hydroxymethyl)-2-methyl-, tribenzoate;2-((Benzoyloxy)methyl)-2-methyl-1,3-propanediol dibenzoate;2-((Benzoyloxy)methyl)-2-methylpropane-1,3-diyl dibenzoate;1,3-Propanediol, 2-((benzoyloxy)methyl)-2-methyl-, dibenzoate;2-[(BENZOYLOXY)METHYL]-2-METHYLPROPANE-1,3-DIYL DIBENZOATE;UNII-177275099B;NSC-166505;2-((Benzoyloxy)methyl)-2-methyldibenzoate-1,3-propanediol;2-(HYDROXYMETHYL)-2-METHYL-1,3-PROPANEDIOL TRIBENZOATE;177275099B;2-(HYDROXYMETHYL)-2-METHYL-1,3- PROPANEDIOL TRIBENZOATE;1,3-Propanediol 2-((benzoyloxyl)methyl)-2-methyl-dibenzoate;1,3-Propanediol, 2-[(benzoyloxy)methyl]-2-methyl-, dibenzoate;2-[(BENZOYLOXY)METHYL]-2-METHYLDIBENZOATE-1,3-PROPANEDIOL;SCHEMBL2020359;DTXSID1024590;NSC166505;AKOS024323214;LS-1257;Tribenzoic acid ethylidynetrismethylene ester;1, 2-(hydroxymethyl)-2-methyl-, tribenzoate;1, 2-[(benzoyloxy)methyl]-2-methyl-, dibenzoate;Q27251873;2-HYDROXYMETHYL-2-METHYL-1,3-PROPANEDIOL TRIBENZOATE;1,3-Propanediol, 2-((benzoyloxy)methyl)-2-methyl-, 1,3-dibenzoate;BENZOYLOXY)METHYL)-2-METHYLDIBENZOATE-1,3-PROPANEDIOL, 2-((;1,3-PROPANEDIOL 2-( (BENZOYLOXYL)METHYL)-2-METHYL-DIBENZOATE;1,3-PROPANEDIOL, 2-((BENZOYLOXY)METHYL)-2-METHYL-, 1,3- DIBENZOATE

Chemical Property of Trimethylolethyl tribenzoate

Chemical Property:

• Vapor Pressure: 4.82E-13mmHg at 25°C
• Boiling Point: 570.9°Cat760mmHg
• Flash Point: 245.3°C
• PSA: 78.90000
• Density: 1.208g/cm³
• LogP: 4.56370
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 12
• Exact Mass: 432.15728848
• Heavy Atom Count: 32
• Complexity: 528

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(COC(=O)C1=CC=CC=C1)(COC(=O)C2=CC=CC=C2)COC(=O)C3=CC=CC=C3

Technology Process of Trimethylolethyl tribenzoate

There total 2 articles about Trimethylolethyl tribenzoate 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: 72.0%

2-(hydroxymethyl)-2-methylpropane-1,3-diol (77-85-0) + iodobenzene (591-50-4) + molybdenum hexacarbonyl (13939-06-5,199620-15-0) → 3-(benzoyloxy)-2-[(benzoyloxy)methyl]-2-methylpropyl benzoate (4196-87-6)

Guidance literature:

With tributyl-amine; In diethylene glycol dimethyl ether; at 150 ℃; for 12h; Inert atmosphere;

DOI:10.1055/s-0030-1260060

Reference yield:

2-(hydroxymethyl)-2-methylpropane-1,3-diol (77-85-0) + benzoyl chloride (98-88-4) → 3-(benzoyloxy)-2-[(benzoyloxy)methyl]-2-methylpropyl benzoate (4196-87-6)

Guidance literature:

With sodium hydroxide;

upstream raw materials:

2-(hydroxymethyl)-2-methylpropane-1,3-diol

benzoyl chloride

iodobenzene

molybdenum hexacarbonyl

Refernces