| Identification | More | [Name]
PENTAERYTHRITOL TETRABENZOATE | [CAS]
4196-86-5 | [Synonyms]
PENTAERYTHRITOL TETRABENZOATE
1,3-Propanediol,2,2-bis[(benzoyloxy)methyl]-,dibenzoate
2,2-bis((benzoyloxy)methyl)dibenzoate-1,3-propanediol
3-propanediol,2,2-bis((benzoyloxy)methyl)-dibenzoate
3-propanediol,2,2-bis[(benzoyloxy)methyl]-dibenzoate
benzoflexs-552
benzoicacid,tetraesterwithpentaerythritol
PENTAERYTHRITOL TETRABENZOATE 98+%
PENTAERYTHRITOL TETRABENZOATE 97%
2,2-BIS((BENZOYLOXY)METHYL)DIBENZOATEPROPANEDIOL
2,2-Bis(hydroxymethyl)-1,3-propanediol tetrabenzoate
Dibenzoic acid 2,2-bis[(benzoyloxy)methyl]-1,3-propanediyl ester
Tetrabenzoic acid (methanetetrayl)tetrakismethylene ester | [EINECS(EC#)]
224-079-8 | [Molecular Formula]
C33H28O8 | [MDL Number]
MFCD00020676 | [Molecular Weight]
552.57 | [MOL File]
4196-86-5.mol |
| Chemical Properties | Back Directory | [Appearance]
cream-coloured powder | [Melting point ]
102-104 °C(lit.) | [Boiling point ]
583.14°C (rough estimate) | [density ]
1.1594 (rough estimate) | [vapor pressure ]
0Pa at 20℃ | [refractive index ]
1.6000 (estimate) | [storage temp. ]
Sealed in dry,Room Temperature | [form ]
solid | [color ]
Off white solid | [Odor]
mild odor | [Stability:]
Stable. Combustible. Incompatible with strong oxidizing agents. | [Water Solubility ]
10μg/L at 20℃ | [InChI]
1S/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 | [InChIKey]
MINJAOUGXYRTEI-UHFFFAOYSA-N | [SMILES]
O=C(OCC(COC(=O)c1ccccc1)(COC(=O)c2ccccc2)COC(=O)c3ccccc3)c4ccccc4 | [LogP]
6.2 at 25℃ | [CAS DataBase Reference]
4196-86-5(CAS DataBase Reference) | [EPA Substance Registry System]
2,2-Bis((benzoyloxy)methyl)-1,3-propanediol dibenzoate (4196-86-5) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn | [Risk Statements ]
22 | [WGK Germany ]
3
| [RTECS ]
RZ2605000
| [TSCA ]
TSCA listed | [REACH Registrations]
Active | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Oral | [Toxicity]
LD50 orl-rat: 10 g/kg NPIRI* 2,83,75 |
| Hazard Information | Back Directory | [General Description]
Cream-colored solid. | [Reactivity Profile]
An ester and alcohol. Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides. Flammable and/or toxic gases are generated by the combination of alcohols with alkali metals, nitrides, and strong reducing agents. They react with oxoacids and carboxylic acids to form esters plus water. Oxidizing agents convert them to aldehydes or ketones. Alcohols exhibit both weak acid and weak base behavior. They may initiate the polymerization of isocyanates and epoxides. TOXICITY-Alcohols and polyols vary widely in toxicity. Among the most toxic are methyl and allyl alcohol, which act as nervous system depressants. | [Air & Water Reactions]
Insoluble in water. | [Health Hazard]
ACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits acrid smoke and irritating fumes. | [Fire Hazard]
Flash point data for this chemical are not available; however, 2,2-BIS((BENZOYLOXY)METHYL)DIBENZOATE-1,3-PROPANEDIOL(4196-86-5) is probably combustible. | [Chemical Properties]
cream-coloured powder | [Uses]
Plasticizer | [Flammability and Explosibility]
Notclassified | [Safety Profile]
Mildly toxic by ingestion. A combustible liquid. When heated to decomposition it emits acrid smoke and irritating fumes. | [Synthesis]
5.0 mL of dichlorosulfoxide (45 μmol) and 4 g (26 μmol) of benzoylformic acid were added to a dry three-necked flask, then 30 mL of toluene was added as a solvent, and 2 drops of N,N-dimethylformamide were added, and the reaction was completed under N2 ga |
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