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.); |
2-Nonylsulfonyl-1-phenyl-1-ethanon
A
sodium benzoate
B
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; |
2-<(1-Ethylnonyl)sulfonyl>-1-phenyl-1-ethanon
A
sodium benzoate
B
1-Brommethylsulfonyl-1-ethylnonan
Conditions | Yield |
---|---|
With sodium hydroxide; bromine In ethanol for 12h; Ambient temperature; | A n/a B 91% |
bromobenzene
carbon monoxide
A
sodium benzoate
B
sodium formate
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% |
benzoic acid methyl ester
sodium methylate
A
methanol
B
sodium benzoate
C
Dimethyl ether
D
benzoic acid benzyl ester
Conditions | Yield |
---|---|
at 180℃; |
benzoic acid methyl ester
sodium methylate
A
methanol
B
sodium benzoate
C
Dimethyl ether
Conditions | Yield |
---|---|
at 175℃; |
methanol
benzoic acid benzyl ester
sodium methylate
sodium benzoate
methanol
acetic acid 1-bromo-2-oxo-2-phenyl-ethyl ester
sodium methylate
A
benzoic acid methyl ester
B
sodium benzoate
benzoic acid phenyl ester
1,2-disodiotetraphenylethane
A
sodium benzoate
B
biphenyl
C
1,1,2,2-tetraphenylethylene
ethanol
A
sodium benzoate
B
benzoic acid ethyl ester
C
ethyl acetate
D
acetophenone
Conditions | Yield |
---|---|
at 150℃; |
benzoic acid ethyl ester
sodium ethanolate
A
sodium benzoate
B
diethyl ether
Conditions | Yield |
---|---|
at 160℃; |
benzoyloxyacetonitrile
sodium ethanolate
A
sodium benzoate
B
benzoic acid ethyl ester
C
sodium cyanide
phenyl sodium
methylammonium carbonate
sodium benzoate
benzhydrol sodium salt
A
sodium benzoate
B
Diphenylmethane
C
benzene
Conditions | Yield |
---|---|
at 250℃; |
1,2-disodiotetraphenylethane
benzaldehyde
A
sodium benzoate
B
1,1,2,2-tetraphenylethylene
C
benzyl alcohol
Conditions | Yield |
---|---|
folgendes Zersetzen mit Wasser; reagiert entsprechend mit Furfurol; |
Conditions | Yield |
---|---|
With sodium amalgam beim Erhitzen im CO2-Strom; |
nitromethane
ethanol
benzil
A
sodium benzoate
B
benzoic acid ethyl ester
Conditions | Yield |
---|---|
Natriumverbindung reagiert; |
Conditions | Yield |
---|---|
In N,N-dimethyl-formamide at 100℃; | 100% |
In N,N-dimethyl-formamide at 70℃; for 16h; | 91% |
sodium benzoate
trans-2-(methoxycyclohexyl)methanesulphonate
cis-1-(benzoyloxy)-2-methoxycyclohexane
Conditions | Yield |
---|---|
In N,N-dimethyl-formamide for 6h; Heating; | 100% |
sodium benzoate
3-chloropentane-2,4-dione
benzoic acid 1-acetyl-2-oxopropyl ester
Conditions | Yield |
---|---|
In dimethyl sulfoxide for 3h; | 100% |
In dimethyl sulfoxide at 20℃; for 3h; |
Conditions | Yield |
---|---|
In N,N-dimethyl-formamide at 20℃; for 3.75h; | 100% |
Conditions | Yield |
---|---|
With tetra(n-butyl)ammonium hydrogensulfate In acetone for 4h; Molecular sieve; ethanol; | 100% |
sodium benzoate
bis((4R,5S)-4-(bromomethyl)-5-phenyl-4,5-dihydrooxazol-2-yl)methane
((4S,4'S,5S,5'S)-2,2'-methylenebis(5-phenyl-4,5-dihydrooxazol-4,2-diyl))bis(methylene)dibenzoate
Conditions | Yield |
---|---|
In dimethyl sulfoxide at 50℃; for 12h; Inert atmosphere; Schlenk technique; Sealed tube; | 100% |
sodium benzoate
biphenyl-4-yl methanol
[1,1'-biphenyl]-4-ylmethyl benzoate
Conditions | Yield |
---|---|
Stage #1: biphenyl-4-yl methanol With 1,2-Diiodoethane; N,N-dimethyl-formamide; triphenylphosphine at 20℃; for 0.0166667h; Sealed tube; Inert atmosphere; Stage #2: sodium benzoate at 20℃; Sealed tube; Inert atmosphere; | 100% |
sodium benzoate
Conditions | Yield |
---|---|
In N,N-dimethyl-formamide at 20 - 90℃; | 100% |
sodium benzoate
2,3,2',3'-tetra-O-benzyl-4,6,4',6'-tetra-O-(methylsulfonyl)-α,α-trehalose
4,6,4',6'-tetra-O-benzoyl-2,3,2',3'-tetra-O-benzyl-(α,-D-galactopyranosyl α-D-galactopyranoside)
Conditions | Yield |
---|---|
In N,N,N,N,N,N-hexamethylphosphoric triamide at 130℃; for 20h; | 99% |
sodium benzoate
1,3-dichloro-2-(methoxymethoxy)propane
2-(methoxymethoxy)-1,3-propanediyl dibenzoate
Conditions | Yield |
---|---|
With 15-crown-5 In N,N-dimethyl-formamide for 18h; Reflux; | 99% |
With 15-crown-5 In N,N-dimethyl-formamide for 48h; Heating; | 95% |
Conditions | Yield |
---|---|
With 10% Pt/activated carbon; water-d2 In isopropyl alcohol at 20℃; for 24h; Sealed tube; Inert atmosphere; | 99% |
With deuterated Raney nickel In water-d2 at 70 - 80℃; for 18h; |
sodium benzoate
4-bromo-2,2,6,6-tetramethyl-3,5-heptanedione
4-benzoyloxy-2,2,6,6-tetramethylheptan-3,5-dione
Conditions | Yield |
---|---|
In dimethyl sulfoxide for 3h; | 99% |
sodium benzoate
2-chloromethyl-3-chloroprop-1-ene
1,3-dibenzoyl-(2-methylidene)-1,3-propanediol
Conditions | Yield |
---|---|
In N,N-dimethyl-formamide at 80℃; for 12h; | 99% |
In N,N-dimethyl-formamide for 4h; Heating; | 73% |
Conditions | Yield |
---|---|
In N,N-dimethyl-formamide | 99% |
Conditions | Yield |
---|---|
In water dissolving of (Co(NH3)6)Cl3 (1 equiv.) in hot water, addn. of sodium benzoate (3 equiv.); slow cooling; crystn. for 6 days; filtration, crystn. from supernatant soln., combining of cryst.; drying in air; elem. anal.; | 99% |
sodium benzoate
((1R,3R,4R,7S)-7-(benzyloxy)-3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2,5-dioxabicyclo[2.2.1]heptan-1-yl)methyl methanesulfonate
((1R,3R,4R,7S)-7-(benzyloxy)-3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2,5-dioxabicyclo[2.2.1]heptan-1-yl)methyl benzoate
Conditions | Yield |
---|---|
In dimethyl sulfoxide at 100℃; for 5h; | 99% |
In N,N-dimethyl-formamide at 90℃; for 18h; | 97% |
In N,N-dimethyl-formamide | 97% |
sodium benzoate
sodium benzoate-d5
Conditions | Yield |
---|---|
With 10% Pt/activated carbon; water-d2 In isopropyl alcohol at 20℃; for 24h; Sealed tube; Inert atmosphere; | 99% |
sodium benzoate
(3,3-dimethylbutynyl)(phenyl)iodonium tosylate
A
iodobenzene
B
1-(3,3-dimethyl-1-butynyl) benzoate
Conditions | Yield |
---|---|
In dichloromethane on benzoate loaded Amberlyst column; | A 98% B 40% |
sodium benzoate
C44H74O21S2
1,3,4,6-tetra-O-pivaloyl-β-D-fructofuranosyl 4-O-benzoyl-2-O-mesyl-3,6-di-O-pivaloyl-α-D-galactopyranoside
Conditions | Yield |
---|---|
In N,N-dimethyl-formamide at 130℃; for 48h; | 98% |
sodium benzoate
dimethylamino-3-O-methanesulfonyl-2-didesoxy-3,4-β-D,L-threo-pentopyranoside de methyle
O-benzoyl-3-dimethylamino-2-didesoxy-2,4-α-D,L-threo-pentopyranoside de methyle
Conditions | Yield |
---|---|
In N,N,N,N,N,N-hexamethylphosphoric triamide at 120℃; for 3h; | 98% |
sodium benzoate
DL-(1,2/3,4,5)-1,2,3-tri-O-benzyl-4-O-methanesulfonyl-5-methanesulfonyloxymethyl-1,2,3,4-cyclohexanetetrol
DL-(1,2,4/3,5)-4-O-benzoyl-5-benzoyloxymethyl-1,2,3-tri-O-benzyl-1,2,3,4-cyclohexanetetrol
Conditions | Yield |
---|---|
In N,N-dimethyl-formamide at 120℃; | 98% |
sodium benzoate
(2-(bromomethyl)benzyl)triphenyl-1-phosphonium bromide
Conditions | Yield |
---|---|
In water; acetone Ambient temperature; | 98% |
sodium benzoate
methyl 2-phthalimido-2-deoxy-3,4,6-tris-(O-methanesulfonyl)-β-D-glucopyranoside
Conditions | Yield |
---|---|
In N,N-dimethyl-formamide at 140℃; for 24h; | 98% |
sodium benzoate
((1R,3R,4R,7S)-3-(6-benzamido-9H-purin-9-yl)-7-(benzyloxy)-2,5-dioxabicyclo[2.2.1]heptan-1-yl)methyl methanesulfonate
((1R,3R,4R,7S)-3-(6-benzamido-9H-purin-9-yl)-7-(benzyloxy)-2,5-dioxabicyclo[2.2.1]heptan-1-yl)methylbenzoate
Conditions | Yield |
---|---|
In dimethyl sulfoxide at 100℃; for 2h; | 98% |
In N,N-dimethyl-formamide at 90℃; for 7h; | 88% |
In N,N-dimethyl-formamide at 90℃; for 7h; | 88% |
In N,N-dimethyl-formamide | 88% |
Conditions | Yield |
---|---|
In methanol Pb(NO3)2 (1 mmol) added to soln. of NaC6H5COO (2 mmol), stirred at 0°C for 30 min; toluene added, crystd. in refrigerator for 2 d; elem. anal.; | 98% |
Conditions | Yield |
---|---|
With (S)-[ruthenium(2-methyl-4-(C(CH3)3)-1-(COOCH2CH2P(phenyl)2))cyclopentadienyl)(CH3CN)2]PF6 In tetrahydrofuran at 25℃; for 7h; Inert atmosphere; | 98% |
trans-3-phenylprop-2-enyl chloride
sodium benzoate
Conditions | Yield |
---|---|
With (S)-[ruthenium(2-methyl-4-(C(CH3)3)-1-(COOCH2CH2P(phenyl)2))cyclopentadienyl)(CH3CN)2]PF6 In tetrahydrofuran at 25℃; for 2h; Inert atmosphere; optical yield given as %ee; enantioselective reaction; | 98% |
sodium benzoate
(E)-1-(3-chloropropa-1-en-1-yl)-4-(trifluoromethyl)benzene
(R)-1-(4-trifluoromethylphenyl)-2-propenyl benzoate
Conditions | Yield |
---|---|
With (S)-[ruthenium(2-methyl-4-(C(CH3)3)-1-(COOCH2CH2P(phenyl)2))cyclopentadienyl)(CH3CN)2]PF6 In tetrahydrofuran at 25℃; for 2h; Inert atmosphere; optical yield given as %ee; enantioselective reaction; | 98% |
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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