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Cas Database |
| Name |
Sodium phenylacetate |
EINECS | 204-052-7 |
| CAS No. | 114-70-5 | Density | 1.257g/cm3 |
| PSA | 40.13000 | LogP | -0.02100 |
| Solubility | 1000g/L at 25℃ | Melting Point |
-37oC |
| Formula | C8H7NaO2 | Boiling Point | 265.5 °C at 760 mmHg |
| Molecular Weight | 158.132 | Flash Point | 156.2 °C |
| Transport Information | N/A | Appearance | Clear yellow to brown. |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Aceticacid, phenyl-, Na salt (5CI);Acetic acid, phenyl-, sodium salt (8CI);Benzeneacetic acid, sodium salt (9CI);Sodium benzeneacetate; |
Article Data | 12 |
Sodium phenylacetate Synthetic route
| Conditions | Yield |
|---|---|
| Stage #1: Benzeneacetamide With hydrogenchloride; water Heating; Stage #2: With sodium hydroxide Reagent/catalyst; | 99.5% |
- 67-56-1
methanol
- 201230-82-2
carbon monoxide
- 100-44-7
benzyl chloride
A
- 538-86-3
benzyl methyl ether
B
- 114-70-5
sodium phenylacetate
| Conditions | Yield |
|---|---|
| With sodium hydroxide; dicobalt octacarbonyl at 60 - 65℃; under 760.051 - 2280.15 Torr; | A n/a B 97% |
- 1121-53-5
benzyl sodium
- 15719-64-9, 15719-76-3, 97762-63-5
methylammonium carbonate
- 114-70-5
sodium phenylacetate
| Conditions | Yield |
|---|---|
| With sodium methylsulfinylmethanide In dimethyl sulfoxide | |
| With sodium hydroxide In water | |
| With sodium hydroxide In water pH=8.0; | |
| With sodium hydroxide In water pH=9 - 10; |
| Conditions | Yield |
|---|---|
| With cetyltrimethylammonim bromide; sodium carbonate; triethylamine at 20℃; for 12h; Product distribution; Further Variations:; Reagents; Solvents; time periods; Photolysis; |
| Conditions | Yield |
|---|---|
| In toluene |
| Conditions | Yield |
|---|---|
| In water at 70℃; |
| Conditions | Yield |
|---|---|
| With sulfuric acid at 70 - 75℃; pH=1.5; | 99.75% |
| With hydrogenchloride In water; toluene pH=2; |
Sodium phenylacetate Chemical Properties
IUPAC Name: Sodium 2-phenylacetate
Synonyms : Phenylacetic acid sodium salt
Molecular Structure of Sodium benzeneacetate (CAS NO: 114-70-5) : 
Molecular Formula of Sodium benzeneacetate (CAS NO: 114-70-5) : C8H7NaO2
Molecular Weight of Sodium benzeneacetate (CAS NO: 114-70-5) : 158.13
CAS NO: 114-70-5
EINECS : 204-052-7
Mol File: 114-70-5.mol
Stability: n/a
Flash Point: 156.2 °C
Enthalpy of Vaporization: 53.18 kJ/mol
Boiling Point: 265.5 °C at 760 mmHg
Vapour Pressure: 0.00456 mmHg at 25°C
Appearance:Sodium benzeneacetate (CAS NO: 114-70-5) is white powder bulk solids.
Sodium phenylacetate Uses
Sodium benzeneacetate (CAS NO: 114-70-5) is used in the pharmaceutical industry, primarily for the manufacture of penicillin.
Sodium phenylacetate Toxicity Data With Reference
| 1. | ipr-mus LD50:2710 mg/kg | DECRDP Drugs under Experimental and Clinical Research. 12 (Suppl 1)(1986),11. | ||
| 2. | ivn-mus LD50:1500 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 12 (1962),751. |
Sodium phenylacetate Consensus Reports
Reported in EPA TSCA Inventory.
Sodium phenylacetate Safety Profile
Moderately toxic by intraperitoneal and intravenous routes. When heated to decomposition it emits acrid smoke and irritating vapors.
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