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532-32-1

Basic Information
CAS No.: 532-32-1
Name: Sodium benzoate
Article Data: 87
Molecular Structure:
Molecular Structure of 532-32-1 (Sodium benzoate)
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: IrritantXi
Risk Codes: 36/37/38-62-63-68
Safety: 24/25-36-26
PSA: 40.13000
LogP: 0.05010
Synthetic route
100-52-7

benzaldehyde

532-32-1

sodium benzoate

Conditions
ConditionsYield
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
ConditionsYield
With sodium hydroxide; bromine In ethanol for 12h; Ambient temperature;A n/a
B 98%
100-51-6

benzyl alcohol

532-32-1

sodium benzoate

Conditions
ConditionsYield
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
ConditionsYield
With sodium hydroxide; bromine In ethanol for 12h; Ambient temperature;A n/a
B 91%
108-86-1

bromobenzene

201230-82-2

carbon monoxide

A

532-32-1

sodium benzoate

B

141-53-7

sodium formate

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
at 175℃;
67-56-1

methanol

1074-12-0

phenylglyoxal hydrate

124-41-4

sodium methylate

532-32-1

sodium benzoate

67-56-1

methanol

94-46-2

isoamyl benzoate

124-41-4

sodium methylate

532-32-1

sodium benzoate

67-56-1

methanol

120-51-4

benzoic acid benzyl ester

124-41-4

sodium methylate

532-32-1

sodium benzoate

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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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