4196-86-5
pentaerythritol tetrabenzoate
CAS: 4196-86-5
Molecular Formula: C33H28O8
4196-86-5 - Names and Identifiers
| Name | pentaerythritol tetrabenzoate |
| Synonyms | Pentaerythrityl tetrabenzoate Pentaerythriol Tetrabenzoate pentaerythritol tetrabenzoate 2,2-bis((benzoyloxy)methyl)dibenzoate-1,3-propanediol 1,3-Propanediol,2,2-bis[(benzoyloxy)methyl]-,dibenzoate 3-(benzoyloxy)-2,2-bis[(benzoyloxy)methyl]propyl benzoate Tetrabenzoic acid (methanetetrayl)tetrakismethylene ester [3-(benzoyloxy)-2,2-bis(benzoyloxymethyl)propyl] benzoate 1,3-Propanediol,2,2-bis[(benzoyloxy)Methyl]-, 1,3-dibenzoate benzoic acid [3-(benzoyloxy)-2,2-bis(benzoyloxymethyl)propyl] ester [3-phenylcarbonyloxy-2,2-bis(phenylcarbonyloxymethyl)propyl] benzoate |
| CAS | 4196-86-5 |
| EINECS | 224-079-8 |
| InChI | InChI=1/C33H28O8/c34-29(25-13-5-1-6-14-25)38-21-33(22-39-30(35)26-15-7-2-8-16-26,23-40-31(36)27-17-9-3-10-18-27)24-41-32(37)28-19-11-4-12-20-28/h1-20H,21-24H2 |
4196-86-5 - Physico-chemical Properties
| Molecular Formula | C33H28O8 |
| Molar Mass | 552.57 |
| Density | 1.1594 (rough estimate) |
| Melting Point | 102-104°C(lit.) |
| Boling Point | 583.14°C (rough estimate) |
| Flash Point | 286.2°C |
| Water Solubility | 10μg/L at 20℃ |
| Vapor Presure | 0Pa at 20℃ |
| Color | Off white solid |
| Odor | mild odor |
| Storage Condition | Sealed in dry,Room Temperature |
| Stability | Stable. Combustible. Incompatible with strong oxidizing agents. |
| Refractive Index | 1.6000 (estimate) |
| MDL | MFCD00020676 |
4196-86-5 - Risk and Safety
| Hazard Symbols | Xn - Harmful |
| Risk Codes | 22 - Harmful if swallowed |
| WGK Germany | 3 |
| RTECS | RZ2605000 |
| Toxicity | LD50 orl-rat: 10 g/kg NPIRI* 2,83,75 |
4196-86-5 - Reference Information
| LogP | 6.2 at 25℃ |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| application | pentaerythritol polyester is an important plasticizer, lubricant and surfactant. it has the characteristics of high reactivity, high crosslinking density, good hardness and high gloss. it is often used in coatings, inks, adhesives, polymers and other fields. In the field of UV curing, pentaerythritol ester polyfunctional monomers are commonly used as diluents and crosslinking agents, which can be used to adjust the viscosity of the coating system and improve the construction performance. At the same time, it can also participate in the curing reaction and increase the crosslinking density of the coating system, thereby improving the mechanical properties and chemical resistance of the material. |
| use | pentaerythritol tetraphenyl ester can be used as an intermediate in pharmaceutical synthesis. |
| preparation | add 5.0mL dichlorosulfoxide (45 μmol) and 4g(26 μmol) benzoyl formic acid to a dry three-mouth flask, then add 30mL toluene as solvent, add 2 drops of N,N-dimethylformamide dropwise, under the protection of N2 gas, in a 40 ℃ water bath, constant temperature stirring, heating and reflux for 4h until no gas is released at the air duct of the drying tube above the condenser tube, the reaction is over, and at 70 ℃, the crude product is obtained by rotating and evaporating. The crude product was recrystallized with dichloromethane to obtain 2.4g of yellow powdered solid benzoylformyl chloride. Weigh 0.136g(0.8 μmol) of pentaerythritol and dissolve it in 30mL of dichloromethane, then add it to a dry three-mouth flask, add 0.158g(1.6 μmol) of triethylamine, dissolve 0.708g(4 μmol) of benzoylformyl chloride in a mixed solution of 30mL of dichloromethane, add it dropwise into the above reaction system, stir at 40 ℃ under N2 gas protection, and heat reflux for 5 hours. After the reaction is over, the filtrate is filtered with saturated sodium bicarbonate solution and deionized water for 3 times each, dried with anhydrous magnesium sulfate, filtered, and the organic phase is further purified by column chromatography. The developing agent in the silica gel column is V (petroleum ether) ∶V (ethyl acetate) = 2:1, and finally 0.575g of yellow liquid pentaerythritol tetraphenyl ester is obtained with a yield of 86.51% (calculated as pentaerythritol). |
Last Update：2024-04-10 22:29:15
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