Phenyl benzoate
- CAS No.
- 93-99-2
- Chemical Name:
- Phenyl benzoate
- Synonyms
- phenolben;Henyl Benzoate;PHENYL BENZOATE;phenol,benzoate;2-phenylbenzoate;PhenylBenzoate>Phenylbenzoate,99%;Benzoic acid phenyl;diphenylcarboxylate;Phenyl benzoate 99%
- CBNumber:
- CB8256450
- Molecular Formula:
- C13H10O2
- Molecular Weight:
- 198.22
- MOL File:
- 93-99-2.mol
- MSDS File:
- SDS
- Modify Date:
- 2024/5/16 17:35:26
| Melting point | 68-70 °C (lit.) |
|---|---|
| Boiling point | 298-299 °C (lit.) |
| Density | 1.235 |
| refractive index | 1.5954 (estimate) |
| Flash point | 298-299°C |
| storage temp. | Store below +30°C. |
| solubility | alcohol: freely soluble (hot) |
| form | Fine Crystalline Powder |
| color | White |
| Odor | geranium odor |
| Water Solubility | Soluble in ethanol, ethyl ether and chloroform. Insoluble in water. |
| Merck | 14,7275 |
| BRN | 1566346 |
| Stability | Stable. Incompatible with strong oxidizing agents, strong acids, strong bases. |
| LogP | 3.590 |
| CAS DataBase Reference | 93-99-2(CAS DataBase Reference) |
| NIST Chemistry Reference | Benzoic acid, phenyl ester(93-99-2) |
| EPA Substance Registry System | Benzoic acid, phenyl ester (93-99-2) |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Warning | |||||||||
| Hazard statements | H302-H315 | |||||||||
| Precautionary statements | P264-P270-P280-P301+P312-P302+P352-P332+P313 | |||||||||
| Hazard Codes | Xn | |||||||||
| Risk Statements | 22-38 | |||||||||
| Safety Statements | 22-24/25 | |||||||||
| WGK Germany | 3 | |||||||||
| RTECS | DH6299500 | |||||||||
| TSCA | Yes | |||||||||
| HS Code | 29163100 | |||||||||
| Toxicity | LD50 orl-mus: 1225 mg/kg YKKZAJ 89,1179,69 | |||||||||
| NFPA 704 |
|
Phenyl benzoate price More Price(11)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich | 142719 | Phenyl benzoate 99% | 93-99-2 | 5G | ₹2641.3 | 2022-06-14 | Buy |
| Sigma-Aldrich(India) | 142719 | Phenyl benzoate 99% | 93-99-2 | 5G | ₹2641.3 | 2022-06-14 | Buy |
| Sigma-Aldrich | 142719 | Phenyl benzoate 99% | 93-99-2 | 100G | ₹4275.88 | 2022-06-14 | Buy |
| Sigma-Aldrich(India) | 142719 | Phenyl benzoate 99% | 93-99-2 | 100G | ₹4275.88 | 2022-06-14 | Buy |
| TCI Chemicals (India) | B0075 | Phenyl Benzoate min. 99.0 % | 93-99-2 | 25G | ₹1500 | 2022-05-26 | Buy |
Phenyl benzoate Chemical Properties,Uses,Production
Chemical Properties
white crystalline powder
Uses
Phenyl Benzoate is a key reagent in the synthesis of soluble polyimides using dianhydride/diamine derivatives.
Preparation
A glass tube was charged with benzoic anhydride (1.13 g, 5.00 mmol), diphenyl carbonate (1.07 g, 5.00 mmol), and either Ti(OBu)4 (0.020 g, 0.059 mmol) or Sn(OMe)2Bu2 (0.017 g, 0.059 mmol) as catalyst. The reaction mixture was heated at 300 ℃ for 30 min. After cooling to room temperature, the crude product obtained was dissolved in dichloromethane (10 mL) and the solution was filtered. The solvent was evaporated and the product obtained after column chromatography (silica gel; CH2Cl2/cyclohexane, 4:1) was recrystallized from petroleum ether; yield 95%.
Definition
ChEBI: A benzoate ester obtained by the formal condensation of phenol with benzoic acid.
General Description
Phenyl benzoate is a phenyl ester of benzoic acid. Crystal structure of phenyl benzoate has been determined from 844 microdensitometer-measured intensities. All bond lengths and angles were reported to be normal. Phenyl benzoate undergoes Fries rearrangement catalyzed by heteropoly acids to yield the acylated phenols and esters.
Safety Profile
Moderately toxic by ingestion. When heated it emits acrid smoke and irritating fumes.
Purification Methods
Crystallise the ester from EtOH using ca twice the volume needed for complete dissolution at 69o. [Beilstein 9 IV 303.]
Phenyl benzoate Preparation Products And Raw materials
Raw materials
Preparation Products
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| Supplier | Advantage |
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| BTC pharm India | 58 |
| GLR Innovations | 58 |
| PEE ESS AROMATICS | 58 |
| SREE SYNERIC LAB | 58 |
| Otto Chemie Pvt. Ltd. | 58 |
| TCI Chemicals (India) Pvt. Ltd. | 58 |
| Alfa Aesar | 58 |
| Central Drug House(P) Ltd. | 58 |
| SynZeal Research Pvt Ltd | 58 |
| P.C. Chem India | 58 |
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