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| CAS No.: | 4196-86-5 |
|---|---|
| Name: | PENTAERYTHRITOL TETRABENZOATE |
| Article Data: | 6 |
| Molecular Structure: | |
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|
|
| Formula: | C33H28 O8 |
| Molecular Weight: | 552.581 |
| Synonyms: | 1,3-Propanediol,2,2-bis[(benzoyloxy)methyl]-, dibenzoate (9CI); Pentaerythritol, tetrabenzoate(7CI,8CI); Benzoflex S 552; NSC 166502; Pentaerythrityl tetrabenzoate |
| Density: | 1.255g/cm3 |
| Melting Point: | 102-104oC(lit.) |
| Boiling Point: | 684.3°C at 760 mmHg |
| Flash Point: | 286.2°C |
| Solubility: | 10μg/L at 20℃ |
| Appearance: | cream-coloured powder |
| Safety: | Mildly toxic by ingestion. A combustible liquid. When heated to decomposition it emits acrid smoke and irritating fumes. |
| PSA: | 105.20000 |
| LogP: | 5.40080 |
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| Conditions | Yield |
|---|---|
| With H2SO4/TiO2-La2O3-solid acid catalyst at 195 - 200℃; for 15h; | 89.6% |
| Conditions | Yield |
|---|---|
| at 150℃; for 20h; | 60% |
| With dmap; triethylamine In dichloromethane at -0.16℃; for 25h; Reflux; | 52% |
| With pyridine | |
| With sodium hydroxide |
| Conditions | Yield |
|---|---|
| With pyridine |
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Chemistry
IUPAC Name: [3-Benzoyloxy-2,2-bis(benzoyloxymethyl)propyl] benzoate
CAS: 4196-86-5
Formula: C33H28O8
Molecular Weight: 552.57
Molecular Structure of [3-Benzoyloxy-2,2-bis(benzoyloxymethyl)propyl] benzoate (CAS NO.4196-86-5):
Density: 1.255 g/cm3
Flash Point: 286.2 °C
Boiling Point: 684.3 °C at 760 mmHg
Index of Refraction: 1.599
Molar Refractivity: 150.55 cm3
Molar Volume: 440.2 cm3
Polarizability: 59.68×10-24cm3
Surface Tension: 52.8 dyne/cm
Enthalpy of Vaporization: 100.36 kJ/mol
Vapour Pressure: 1.4E-18 mmHg at 25°C
Appearance: Cream-colored solid.
Product Categories: C12 to C63;carbonyl compounds;esters.
Toxicity Data With Reference
| 1. | orl-rat LD50:10 g/kg | NPIRI* Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. 2 (1975),83. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Mildly toxic by ingestion. A combustible liquid. When heated to decomposition it emits acrid smoke and irritating fumes.
Safety Information about [3-Benzoyloxy-2,2-bis(benzoyloxymethyl)propyl] benzoate (CAS NO.4196-86-5):
WGK Germany: 3
RTECS: RZ2605000
Specification
The chemical synonyms of [3-Benzoyloxy-2,2-bis(benzoyloxymethyl)propyl] benzoate (CAS NO.4196-86-5) are 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 ; Pentaerythritol tetrabenzoate 98+% .Toxicity - alcohols and polyols vary widely in toxicity. Among the most toxic are methyl and allyl alcohol, which act as nervous system depressants.When heated to decomposition pentaerythritol tetrabenzoate emits acrid smoke and irritating fumes. It can be used as solid plasticizer for PVC, but also as a processing aid to improve the rolling winding as well as access to better stability.