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| CAS No.: | 532-32-1 |
|---|---|
| Name: | Sodium benzoate |
| Article Data: | 87 |
| Cas Database | |
| Molecular Structure: | |
|
|
|
| Formula: | C7H5NaO2 |
| Molecular Weight: | 144.105 |
| Synonyms: | Ucephan;FEMA Number 3025;Sobenate;Sodium Benzoate (food grade);FEMA No. 3025;Sodium benzoate (TN);Sodium benzoate solution;EPA Pesticide Chemical Code 009103;Benzoate of soda;Benzoic acid, sodium salt;Antimol;Sodium benzoate [USAN:JAN];Sodium benzoate (JP14/NF);Benzoan sodny [Czech];Benzoic acid,compounds,sodium salt;Benzoesaeure (na-salz) [German];Sodium Benzoic acid;Sodium Benzoate - BP98; |
| EINECS: | 208-534-8 |
| Density: | 1,44 g/cm3 |
| Melting Point: | >300 °C(lit.) |
| Boiling Point: | 249.3 °C at 760 mmHg |
| Flash Point: | 111.4 °C |
| Solubility: | H2O: 1 M at 20 °C, clear, colorless |
| Appearance: | white crystalline powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38-62-63-68 |
| Safety: | 24/25-36-26 |
| PSA: | 40.13000 |
| LogP: | 0.05010 |
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- 53234-56-36-Chloro-5-cyano-2-pyridinecarboxylic acid
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- 5323-87-52-Cyclohexen-1-one,3-ethoxy-
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| Conditions | Yield |
|---|---|
| With tetraphosphonium peroxodiphosphate; water In phosphate buffer pH=4.0 - 10.0; Kinetics; Product distribution; Further Variations:; flash-photolysis; UV-irradiation; | 100% |
| With sodium hydroxide; sodium periodate; ruthenium trichloride In water at 35℃; Kinetics; Mechanism; Thermodynamic data; other temperatures; dependence on the concentrations of substrate, base; ΔE(excit.), ΔH(excit.), ΔS(excit.); |
- 85057-92-7
2-Nonylsulfonyl-1-phenyl-1-ethanon
A
- 532-32-1
sodium benzoate
B
- 85057-99-4
1-(Brommethylsulfonyl)nonan
| Conditions | Yield |
|---|---|
| With sodium hydroxide; bromine In ethanol for 12h; Ambient temperature; | A n/a B 98% |
| Conditions | Yield |
|---|---|
| With oxygen; sodium hydroxide In neat (no solvent) at 179.84℃; for 8h; Reagent/catalyst; | 92% |
| With sodium hydroxide; palladium on activated charcoal In diethylene glycol dimethyl ether at 160℃; for 16h; | 80% |
| With oxygen; sodium hydroxide at 200℃; for 10h; Neat (no solvent); neat (no solvent); | 75% |
| With nitric oxide; sodium hydride In 1,4-dioxane at 20℃; for 24h; | 43% |
| With oxygen; sodium hydroxide at 30 - 90℃; under 760.051 Torr; for 0.133333h; Kinetics; Catalytic behavior; Time; Microwave irradiation; |
- 85057-95-0
2-<(1-Ethylnonyl)sulfonyl>-1-phenyl-1-ethanon
A
- 532-32-1
sodium benzoate
B
- 85058-00-0
1-Brommethylsulfonyl-1-ethylnonan
| Conditions | Yield |
|---|---|
| With sodium hydroxide; bromine In ethanol for 12h; Ambient temperature; | A n/a B 91% |
| Conditions | Yield |
|---|---|
| With sodium hydroxide; tetraethylammonium iodide; triphenylphosphine; bis(benzonitrile)palladium(II) dichloride In water; m-xylene at 85 - 90℃; for 14h; Product distribution; influence of various PTC; effect of molar ratio; | A 90% B 9.3% |
- 93-58-3
benzoic acid methyl ester
- 124-41-4
sodium methylate
A
- 67-56-1
methanol
B
- 532-32-1
sodium benzoate
C
- 115-10-6
Dimethyl ether
D
- 120-51-4
benzoic acid benzyl ester
| Conditions | Yield |
|---|---|
| at 180℃; |
- 93-58-3
benzoic acid methyl ester
- 124-41-4
sodium methylate
A
- 67-56-1
methanol
B
- 532-32-1
sodium benzoate
C
- 115-10-6
Dimethyl ether
| Conditions | Yield |
|---|---|
| at 175℃; |
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Specification
Sodium benzoate with the CAS Number 532-32-1 has the chemical formula NaC7H5O2; it is also called BENZOTRON(R); BENZOIC ACID SODIUM SALT; FEMA 3025; SODIUM BENZOATE; PUROX S; NATRII BENZOAS; antimol; benzoansodny. Sodium benzoate is a widely used food preservative, with E number E211. It is the sodium salt of benzoic acid and exists in this form when dissolved in water. It can be produced by reacting sodium hydroxide with benzoic acid. Though benzoic acid is a more effective preservative, it isn’t very soluble in cold water compared to sodium benzoate which dissolves easily in water.
Physical properties about Sodium benzoate are: (1)ACD/LogP: 1.895; (2)ACD/LogD (pH 5.5): 0.58; (3)ACD/LogD (pH 7.4): -0.98; (4)ACD/BCF (pH 5.5): 1.00; (5)ACD/BCF (pH 7.4): 1.00; (6)ACD/KOC (pH 5.5): 12.43; (7)ACD/KOC (pH 7.4): 1.00; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Flash Point: 111.4 °C; (12)Enthalpy of Vaporization: 51.4 kJ/mol; (13)Boiling Point: 249.3 °C at 760 mmHg; (14)Vapour Pressure: 0.0122 mmHg at 25°C
Preparation of Sodium benzoate: Sodium benzoate is created by adding benzoic acid to a hot concentrated solution of sodium carbonate until effervescence ceases. The solution is then evaporated, cooled and allowed to crystallize or evaporate to dryness, and then granulated.
Uses of Sodium benzoate: Sodium benzoate (CAS NO.532-32-1) is a preservative. It is bacteriostatic and fungistatic under acidic conditions. It is used most prevalently in acidic foods such as salad dressings (vinegar), carbonated drinks (carbonic acid), jams and fruit juices (citric acid), pickles (vinegar), and condiments. Besides, it is also used in fireworks as a fuel in whistle mix, a powder which emits a whistling noise when compressed into a tube and ignited.
When you are using this chemical, please be cautious about it as the following:
1. Avoid contact with skin and eyes;
2. Wear suitable protective clothing;
3. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice;
You can still convert the following datas into molecular structure:
(1)InChI=1S/C7H6O2.Na/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);/q;+1/p-1;
(2)InChIKey=WXMKPNITSTVMEF-UHFFFAOYSA-M;
(3)Smilesc1(ccccc1)C(=O)[O-].[Na+];
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| dog | LD50 | oral | 2gm/kg (2000mg/kg) | FAO Nutrition Meetings Report Series. Vol. 53A, Pg. 34, 1974. | |
| frog | LDLo | subcutaneous | 100mg/kg (100mg/kg) | "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1313, 1935. | |
| guinea pig | LDLo | intraperitoneal | 1400mg/kg (1400mg/kg) | "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1313, 1935. | |
| guinea pig | LDLo | subcutaneous | 1gm/kg (1000mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 28(1), Pg. 45, 1963. | |
| mouse | LD50 | intramuscular | 2306mg/kg (2306mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 117, Pg. 307, 1956. | |
| mouse | LD50 | intravenous | 1440mg/kg (1440mg/kg) | Medicinal Chemistry, A Series of Reviews. Vol. 6, Pg. 290, 1963. | |
| mouse | LD50 | oral | 1600mg/kg (1600mg/kg) | BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(1), Pg. 75, 1986. |
| rabbit | LD50 | oral | 2gm/kg (2000mg/kg) | FAO Nutrition Meetings Report Series. Vol. 53A, Pg. 34, 1974. | |
| rabbit | LD50 | subcutaneous | 2gm/kg (2000mg/kg) | FAO Nutrition Meetings Report Series. Vol. 53A, Pg. 34, 1974. | |
| rat | LD50 | intravenous | 1714mg/kg (1714mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: TREMOR | Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 31, Pg. 253, 1942. |
| rat | LD50 | oral | 4070mg/kg (4070mg/kg) | Journal of Industrial Hygiene and Toxicology. Vol. 30, Pg. 63, 1948. | |
| rat | LD50 | subcutaneous | 2gm/kg (2000mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 28(1), Pg. 45, 1963. |
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