Product Name

  • Name

    Sodium benzoate

  • EINECS 208-534-8
  • CAS No. 532-32-1
  • Article Data87
  • CAS DataBase
  • Density 1,44 g/cm3
  • Solubility H2O: 1 M at 20 °C, clear, colorless
  • Melting Point >300 °C(lit.)
  • Formula C7H5NaO2
  • Boiling Point 249.3 °C at 760 mmHg
  • Molecular Weight 144.105
  • Flash Point 111.4 °C
  • Transport Information
  • Appearance white crystalline powder
  • Safety 24/25-36-26
  • Risk Codes 36/37/38-62-63-68
  • Molecular Structure Molecular Structure of 532-32-1 (Sodium benzoate)
  • Hazard Symbols IrritantXi
  • 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;
  • PSA 40.13000
  • LogP 0.05010

Synthetic route

benzaldehyde
100-52-7

benzaldehyde

sodium benzoate
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.);
2-Nonylsulfonyl-1-phenyl-1-ethanon
85057-92-7

2-Nonylsulfonyl-1-phenyl-1-ethanon

A

sodium benzoate
532-32-1

sodium benzoate

B

1-(Brommethylsulfonyl)nonan
85057-99-4

1-(Brommethylsulfonyl)nonan

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

benzyl alcohol

sodium benzoate
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;
2-<(1-Ethylnonyl)sulfonyl>-1-phenyl-1-ethanon
85057-95-0

2-<(1-Ethylnonyl)sulfonyl>-1-phenyl-1-ethanon

A

sodium benzoate
532-32-1

sodium benzoate

B

1-Brommethylsulfonyl-1-ethylnonan
85058-00-0

1-Brommethylsulfonyl-1-ethylnonan

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

bromobenzene

carbon monoxide
201230-82-2

carbon monoxide

A

sodium benzoate
532-32-1

sodium benzoate

B

sodium formate
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%
benzoic acid methyl ester
93-58-3

benzoic acid methyl ester

sodium methylate
124-41-4

sodium methylate

A

methanol
67-56-1

methanol

B

sodium benzoate
532-32-1

sodium benzoate

C

Dimethyl ether
115-10-6

Dimethyl ether

D

benzoic acid benzyl ester
120-51-4

benzoic acid benzyl ester

Conditions
ConditionsYield
at 180℃;
benzoic acid methyl ester
93-58-3

benzoic acid methyl ester

sodium methylate
124-41-4

sodium methylate

A

methanol
67-56-1

methanol

B

sodium benzoate
532-32-1

sodium benzoate

C

Dimethyl ether
115-10-6

Dimethyl ether

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

methanol

phenylglyoxal hydrate
1074-12-0

phenylglyoxal hydrate

sodium methylate
124-41-4

sodium methylate

sodium benzoate
532-32-1

sodium benzoate

methanol
67-56-1

methanol

isoamyl benzoate
94-46-2

isoamyl benzoate

sodium methylate
124-41-4

sodium methylate

sodium benzoate
532-32-1

sodium benzoate

methanol
67-56-1

methanol

benzoic acid benzyl ester
120-51-4

benzoic acid benzyl ester

sodium methylate
124-41-4

sodium methylate

sodium benzoate
532-32-1

sodium benzoate

methanol
67-56-1

methanol

acetic acid 1-bromo-2-oxo-2-phenyl-ethyl ester
53907-33-8

acetic acid 1-bromo-2-oxo-2-phenyl-ethyl ester

sodium methylate
124-41-4

sodium methylate

A

benzoic acid methyl ester
93-58-3

benzoic acid methyl ester

B

sodium benzoate
532-32-1

sodium benzoate

benzoic acid phenyl ester
93-99-2

benzoic acid phenyl ester

1,2-disodiotetraphenylethane
7381-16-0

1,2-disodiotetraphenylethane

A

sodium benzoate
532-32-1

sodium benzoate

B

biphenyl
92-52-4

biphenyl

C

1,1,2,2-tetraphenylethylene
632-51-9

1,1,2,2-tetraphenylethylene

ethanol
64-17-5

ethanol

sodium benzoylacetonate

sodium benzoylacetonate

A

sodium benzoate
532-32-1

sodium benzoate

B

benzoic acid ethyl ester
93-89-0

benzoic acid ethyl ester

C

ethyl acetate
141-78-6

ethyl acetate

D

acetophenone
98-86-2

acetophenone

Conditions
ConditionsYield
at 150℃;
benzoic acid ethyl ester
93-89-0

benzoic acid ethyl ester

sodium ethanolate
141-52-6

sodium ethanolate

A

sodium benzoate
532-32-1

sodium benzoate

B

diethyl ether
60-29-7

diethyl ether

Conditions
ConditionsYield
at 160℃;
benzoyloxyacetonitrile
939-56-0

benzoyloxyacetonitrile

sodium ethanolate
141-52-6

sodium ethanolate

A

sodium benzoate
532-32-1

sodium benzoate

B

benzoic acid ethyl ester
93-89-0

benzoic acid ethyl ester

C

sodium cyanide
143-33-9

sodium cyanide

phenyl sodium
1623-99-0

phenyl sodium

methylammonium carbonate
15719-64-9, 15719-76-3, 97762-63-5

methylammonium carbonate

sodium benzoate
532-32-1

sodium benzoate

benzhydrol sodium salt
1204-50-8

benzhydrol sodium salt

A

sodium benzoate
532-32-1

sodium benzoate

B

Diphenylmethane
101-81-5

Diphenylmethane

C

benzene
71-43-2

benzene

Conditions
ConditionsYield
at 250℃;
1,2-disodiotetraphenylethane
7381-16-0

1,2-disodiotetraphenylethane

benzaldehyde
100-52-7

benzaldehyde

A

sodium benzoate
532-32-1

sodium benzoate

B

1,1,2,2-tetraphenylethylene
632-51-9

1,1,2,2-tetraphenylethylene

C

benzyl alcohol
100-51-6

benzyl alcohol

Conditions
ConditionsYield
folgendes Zersetzen mit Wasser; reagiert entsprechend mit Furfurol;
benzaldehyde
100-52-7

benzaldehyde

A

sodium benzoate
532-32-1

sodium benzoate

B

benzoic acid benzyl ester
120-51-4

benzoic acid benzyl ester

Conditions
ConditionsYield
With sodium amalgam beim Erhitzen im CO2-Strom;
nitromethane
75-52-5

nitromethane

ethanol
64-17-5

ethanol

benzil
134-81-6

benzil

A

sodium benzoate
532-32-1

sodium benzoate

B

benzoic acid ethyl ester
93-89-0

benzoic acid ethyl ester

Conditions
ConditionsYield
Natriumverbindung reagiert;
sodium benzoate
532-32-1

sodium benzoate

bis(2-chloromethyl)ether
542-88-1

bis(2-chloromethyl)ether

benzoyloxymethyl ether
131853-06-0

benzoyloxymethyl ether

Conditions
ConditionsYield
In N,N-dimethyl-formamide at 100℃;100%
In N,N-dimethyl-formamide at 70℃; for 16h;91%
sodium benzoate
532-32-1

sodium benzoate

trans-2-(methoxycyclohexyl)methanesulphonate
7601-44-7, 90201-85-7, 93473-64-4

trans-2-(methoxycyclohexyl)methanesulphonate

cis-1-(benzoyloxy)-2-methoxycyclohexane
92864-37-4, 7429-22-3

cis-1-(benzoyloxy)-2-methoxycyclohexane

Conditions
ConditionsYield
In N,N-dimethyl-formamide for 6h; Heating;100%
sodium benzoate
532-32-1

sodium benzoate

3-chloropentane-2,4-dione
1694-29-7

3-chloropentane-2,4-dione

benzoic acid 1-acetyl-2-oxopropyl ester
4620-47-7

benzoic acid 1-acetyl-2-oxopropyl ester

Conditions
ConditionsYield
In dimethyl sulfoxide for 3h;100%
In dimethyl sulfoxide at 20℃; for 3h;
sodium benzoate
532-32-1

sodium benzoate

1-Bromo-2-butanone
816-40-0

1-Bromo-2-butanone

3-oxo-2-butyl benzoate
80387-17-3

3-oxo-2-butyl benzoate

Conditions
ConditionsYield
In N,N-dimethyl-formamide at 20℃; for 3.75h;100%
sodium benzoate
532-32-1

sodium benzoate

4-bromobutanenitrile
5332-06-9

4-bromobutanenitrile

4-benzoyloxybutyronitrile
75272-93-4

4-benzoyloxybutyronitrile

Conditions
ConditionsYield
With tetra(n-butyl)ammonium hydrogensulfate In acetone for 4h; Molecular sieve; ethanol;100%
sodium benzoate
532-32-1

sodium benzoate

bis((4R,5S)-4-(bromomethyl)-5-phenyl-4,5-dihydrooxazol-2-yl)methane
1453106-62-1

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
1453106-66-5

((4S,4'S,5S,5'S)-2,2'-methylenebis(5-phenyl-4,5-dihydrooxazol-4,2-diyl))bis(methylene)dibenzoate

Conditions
ConditionsYield
In dimethyl sulfoxide at 50℃; for 12h; Inert atmosphere; Schlenk technique; Sealed tube;100%
sodium benzoate
532-32-1

sodium benzoate

biphenyl-4-yl methanol
3597-91-9

biphenyl-4-yl methanol

[1,1'-biphenyl]-4-ylmethyl benzoate
38418-12-1

[1,1'-biphenyl]-4-ylmethyl benzoate

Conditions
ConditionsYield
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
532-32-1

sodium benzoate

C39H56N6O10SSi2

C39H56N6O10SSi2

2-(((2R,3R,4R,5R)-4-((tert-butyldimethylsilyl)oxy)-5-(((tert-butyldimethylsilyl)oxy)methyl)-2-(6-(N-(2-nitrobenzyl)benzamido)-9H-purin-9-yl)tetrahydrofuran-3-yl)oxy)ethyl benzoate

2-(((2R,3R,4R,5R)-4-((tert-butyldimethylsilyl)oxy)-5-(((tert-butyldimethylsilyl)oxy)methyl)-2-(6-(N-(2-nitrobenzyl)benzamido)-9H-purin-9-yl)tetrahydrofuran-3-yl)oxy)ethyl benzoate

Conditions
ConditionsYield
In N,N-dimethyl-formamide at 20 - 90℃;100%
sodium benzoate
532-32-1

sodium benzoate

2,3,2',3'-tetra-O-benzyl-4,6,4',6'-tetra-O-(methylsulfonyl)-α,α-trehalose
39021-76-6, 41548-14-5

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)
41548-11-2

4,6,4',6'-tetra-O-benzoyl-2,3,2',3'-tetra-O-benzyl-(α,-D-galactopyranosyl α-D-galactopyranoside)

Conditions
ConditionsYield
In N,N,N,N,N,N-hexamethylphosphoric triamide at 130℃; for 20h;99%
sodium benzoate
532-32-1

sodium benzoate

1,3-dichloro-2-(methoxymethoxy)propane
70905-45-2

1,3-dichloro-2-(methoxymethoxy)propane

2-(methoxymethoxy)-1,3-propanediyl dibenzoate
110874-21-0

2-(methoxymethoxy)-1,3-propanediyl dibenzoate

Conditions
ConditionsYield
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%
sodium benzoate
532-32-1

sodium benzoate

benzoic acid-2,3,4,5,6-d5
1079-02-3

benzoic acid-2,3,4,5,6-d5

Conditions
ConditionsYield
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
532-32-1

sodium benzoate

4-bromo-2,2,6,6-tetramethyl-3,5-heptanedione
39516-78-4

4-bromo-2,2,6,6-tetramethyl-3,5-heptanedione

4-benzoyloxy-2,2,6,6-tetramethylheptan-3,5-dione
69825-65-6

4-benzoyloxy-2,2,6,6-tetramethylheptan-3,5-dione

Conditions
ConditionsYield
In dimethyl sulfoxide for 3h;99%
sodium benzoate
532-32-1

sodium benzoate

2-chloromethyl-3-chloroprop-1-ene
1871-57-4

2-chloromethyl-3-chloroprop-1-ene

1,3-dibenzoyl-(2-methylidene)-1,3-propanediol
39185-03-0

1,3-dibenzoyl-(2-methylidene)-1,3-propanediol

Conditions
ConditionsYield
In N,N-dimethyl-formamide at 80℃; for 12h;99%
In N,N-dimethyl-formamide for 4h; Heating;73%
sodium benzoate
532-32-1

sodium benzoate

(R)-1-O-benzyloxy-5-iodo-4-methylpentane
916235-41-1

(R)-1-O-benzyloxy-5-iodo-4-methylpentane

C20H24O3
916235-46-6

C20H24O3

Conditions
ConditionsYield
In N,N-dimethyl-formamide99%
sodium benzoate
532-32-1

sodium benzoate

hexammine cobalt(III) chloride

hexammine cobalt(III) chloride

water
7732-18-5

water

sodium hexaamminecobalt(III) benzoate monohydrate

sodium hexaamminecobalt(III) benzoate monohydrate

Conditions
ConditionsYield
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
532-32-1

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
1094603-22-1

((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
1094603-23-2

((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
ConditionsYield
In dimethyl sulfoxide at 100℃; for 5h;99%
In N,N-dimethyl-formamide at 90℃; for 18h;97%
In N,N-dimethyl-formamide97%
sodium benzoate
532-32-1

sodium benzoate

sodium benzoate-d5
62790-26-5

sodium benzoate-d5

Conditions
ConditionsYield
With 10% Pt/activated carbon; water-d2 In isopropyl alcohol at 20℃; for 24h; Sealed tube; Inert atmosphere;99%
sodium benzoate
532-32-1

sodium benzoate

(3,3-dimethylbutynyl)(phenyl)iodonium tosylate
92473-47-7

(3,3-dimethylbutynyl)(phenyl)iodonium tosylate

A

iodobenzene
591-50-4

iodobenzene

B

1-(3,3-dimethyl-1-butynyl) benzoate
104911-35-5

1-(3,3-dimethyl-1-butynyl) benzoate

Conditions
ConditionsYield
In dichloromethane on benzoate loaded Amberlyst column;A 98%
B 40%
sodium benzoate
532-32-1

sodium benzoate

C44H74O21S2
90653-39-7

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
90634-05-2

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
ConditionsYield
In N,N-dimethyl-formamide at 130℃; for 48h;98%
sodium benzoate
532-32-1

sodium benzoate

dimethylamino-3-O-methanesulfonyl-2-didesoxy-3,4-β-D,L-threo-pentopyranoside de methyle
87907-94-6, 87907-96-8

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
87907-97-9, 87908-00-7

O-benzoyl-3-dimethylamino-2-didesoxy-2,4-α-D,L-threo-pentopyranoside de methyle

Conditions
ConditionsYield
In N,N,N,N,N,N-hexamethylphosphoric triamide at 120℃; for 3h;98%
sodium benzoate
532-32-1

sodium benzoate

DL-(1,2/3,4,5)-1,2,3-tri-O-benzyl-4-O-methanesulfonyl-5-methanesulfonyloxymethyl-1,2,3,4-cyclohexanetetrol
125258-16-4

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
125258-19-7

DL-(1,2,4/3,5)-4-O-benzoyl-5-benzoyloxymethyl-1,2,3-tri-O-benzyl-1,2,3,4-cyclohexanetetrol

Conditions
ConditionsYield
In N,N-dimethyl-formamide at 120℃;98%
sodium benzoate
532-32-1

sodium benzoate

(2-(bromomethyl)benzyl)triphenyl-1-phosphonium bromide
67219-44-7

(2-(bromomethyl)benzyl)triphenyl-1-phosphonium bromide

[(o-benzoyloxymethyl)phenylmethyl]triphenylphosphonium bromide

[(o-benzoyloxymethyl)phenylmethyl]triphenylphosphonium bromide

Conditions
ConditionsYield
In water; acetone Ambient temperature;98%
sodium benzoate
532-32-1

sodium benzoate

methyl 2-phthalimido-2-deoxy-3,4,6-tris-(O-methanesulfonyl)-β-D-glucopyranoside
357399-55-4

methyl 2-phthalimido-2-deoxy-3,4,6-tris-(O-methanesulfonyl)-β-D-glucopyranoside

methyl 2-phthalimido-2-deoxy-4,6-bis-(O-benzoyl)-3-(O-methanesulfonyl)-β-D-galactopyranoside

methyl 2-phthalimido-2-deoxy-4,6-bis-(O-benzoyl)-3-(O-methanesulfonyl)-β-D-galactopyranoside

Conditions
ConditionsYield
In N,N-dimethyl-formamide at 140℃; for 24h;98%
sodium benzoate
532-32-1

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
293751-32-3

((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
293751-33-4

((1R,3R,4R,7S)-3-(6-benzamido-9H-purin-9-yl)-7-(benzyloxy)-2,5-dioxabicyclo[2.2.1]heptan-1-yl)methylbenzoate

Conditions
ConditionsYield
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-formamide88%
methanol
67-56-1

methanol

sodium benzoate
532-32-1

sodium benzoate

lead(II) nitrate

lead(II) nitrate

[lead(II)(benzoate)2(methanol)2]

[lead(II)(benzoate)2(methanol)2]

Conditions
ConditionsYield
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%
trans-3-phenylprop-2-enyl chloride
21087-29-6

trans-3-phenylprop-2-enyl chloride

sodium benzoate
532-32-1

sodium benzoate

cinnamyl benzoate
5320-75-2

cinnamyl benzoate

Conditions
ConditionsYield
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
21087-29-6

trans-3-phenylprop-2-enyl chloride

sodium benzoate
532-32-1

sodium benzoate

(R)-1-phenyl-2-propen-1-yl benzoate

(R)-1-phenyl-2-propen-1-yl benzoate

Conditions
ConditionsYield
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
532-32-1

sodium benzoate

(E)-1-(3-chloropropa-1-en-1-yl)-4-(trifluoromethyl)benzene
221527-77-1

(E)-1-(3-chloropropa-1-en-1-yl)-4-(trifluoromethyl)benzene

(R)-1-(4-trifluoromethylphenyl)-2-propenyl benzoate
1207287-91-9

(R)-1-(4-trifluoromethylphenyl)-2-propenyl benzoate

Conditions
ConditionsYield
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 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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