Benzoic acid supplier | CasNO.65-85-0

Name
Benzoic acid
EINECS 200-618-2
CAS No. 65-85-0
Article Data6088
CAS DataBase
Density 1.197 g/cm³
Solubility slightly soluble in water
Melting Point 121-125 °C(lit.)
Formula C₇H₆O₂
Boiling Point 249.3 °C at 760 mmHg
Molecular Weight 122.123
Flash Point 111.4 °C
Transport Information UN 3077 9/PG 3
Appearance white crystals or powder
Safety 26-45-37/39-24-22-36/37-24/25-23-53
Risk Codes 22-36-42/43-36/37/38-40-63-43-23/24/25-45
Molecular Structure
Hazard Symbols Xn, T, Xi
Synonyms Carboxybenzene;Tenn-Plas;Salvo liquid;Unisept BZA;Benzoic acid, tech.;Benzeneformic acid;Salvo, liquid;Solvo, powder;Acide benzoique;Benzoic acid (JP14/USP);Retarder BA;Solvo powder;Benzoic acid tech.;Benzoic acid nat.;Benzoic Acid, Crystal, Reagent;Benzoic Acid, Reagent Special;2,40 DECADIENAL;Benzoic Acid [65-85-0];Benzoesaeure;Benzoic acid /Natural;Benzoic acid (MDS);Benzyl acid;Retardex;Benzenemethanoic acid;phenylformic acid;Benzenecarboxylic acid;HA 1 (acid);Benzoesaeure GV;E 210;582-25-2;Dracylic acid;Benzoic acid (7CI,8CI,9CI);Benzoesaeure GK;
PSA 37.30000
LogP 1.38480

Synthetic route

: 100-52-7
benzaldehyde

: 65-85-0
benzoic acid

Conditions

Conditions	Yield
With 2,2,2-trichloroethylperoxycarbonic acid; dihydrogen peroxide In dichloromethane Ambient temperature;	100%
With potassium hydroxide; oxygen In 1,2-dimethoxyethane at 20℃; for 3.5h;	100%
With [Cu2C6H4(CHNCH2CH2N(CH2C5H4N)2)2](2+)*2ClO4(1-)=C36H38Cu2N8(ClO4)2; oxygen In acetone at -90.16℃;	100%

: 100-47-0
benzonitrile

: 65-85-0
benzoic acid

Conditions

Conditions	Yield
With water at 45℃; pH=7.2; Microbiological reaction; aq. buffer;	100%
With potassium tert-butylate; water In isopropyl alcohol at 25℃; Inert atmosphere;	100%
With benzene-1,2-dicarboxylic acid at 250℃; under 7600 Torr; for 0.25h; microwave irradiation;	99%

: 100-51-6
benzyl alcohol

: 65-85-0
benzoic acid

Conditions

Conditions	Yield
With barium permanganate In acetonitrile for 4h; Heating;	100%
With iodosylbenzene In water at 20℃; for 30h; Oxidation;	100%
With iodosylbenzene In water for 30h; sonication;	100%

: 93-58-3
benzoic acid methyl ester

: 65-85-0
benzoic acid

Conditions

Conditions	Yield
With sodium hydroxide at 166 - 168℃; under 5250.4 Torr; for 0.0166667h; Irradiation;	100%
With potassium carbonate; thiophenol In 1-methyl-pyrrolidin-2-one at 190℃; for 0.166667h; Substitution;	100%
With potassium hydroxide; Aliquat 336 at 200℃; for 0.0833333h; Product distribution; Further Variations:; Reagents; Solvents; Temperatures; microwave irradiation;	98%

: 93-56-1
phenylethane 1,2-diol

: 65-85-0
benzoic acid

Conditions

Conditions	Yield
With barium permanganate In acetonitrile for 0.5h; Heating;	100%
With oxygen; sodium methylate; silver trifluoromethanesulfonate In tetrahydrofuran; methanol at 37℃; under 760.051 Torr; Sealed tube;	98%
With sodium periodate; manganese(II) 5,10,15,20-tetrakis(N-ethylpyridinium-4-yl)porphyrin In water at 60℃; for 4h;	96%

: 33868-50-7
phenacyl benzoate

: 65-85-0
benzoic acid

Conditions

Conditions	Yield
With potassium phosphate; tris(2,2-bipyridine)ruthenium(II) hexafluorophosphate; ascorbic acid In water; acetonitrile at 20℃; for 2h; Irradiation;	100%
With sodium hydrogen telluride In N,N-dimethyl-formamide for 0.333333h; Product distribution; Ambient temperature;	1.11 g
With tetrabutyl ammonium fluoride; phenylmethanethiol In tetrahydrofuran Product distribution; various concentrations, other solvent, other thiols; other educts; selective removal of phenacyl ester group in the presence of benzyl and 4-nitrobenzyl ester groups;

: 774-65-2
benzoic acid tert-butyl ester

A: 65-85-0
benzoic acid

B: 75-65-0
tert-butyl alcohol

Conditions

Conditions	Yield
With aluminum oxide; potassium hydroxide In diethyl ether for 21h; Product distribution; Ambient temperature; other solvent;	A 100% B 80%

: 583-04-0
vinyl benzoate

: 65-85-0
benzoic acid

Conditions

Conditions	Yield
With 2,2'-azobis(isobutyronitrile) In benzene at 65 - 70℃; for 3h;	100%
With Fe3O4@SiO2-[(4-(5-O3Si-pentylcarbamoyl)-2-pyridinecarboxylato)CpRu(η3-C3H5)]PF6 In methanol at 30℃; for 1h; Inert atmosphere; chemoselective reaction;	99%
[(cyclopentadienyl)bis(acetonitrile)(triphenylphosphine)ruthenium(II)] hexafluorophosphate In methanol at 25℃; for 6h; Product distribution; Further Variations:; Solvents; Temperatures;	98%

: 120-51-4
benzoic acid benzyl ester

: 65-85-0
benzoic acid

Conditions

Conditions	Yield
With hydrogen In methanol at 25℃; for 24h; Reagent/catalyst; Solvent; Temperature; chemoselective reaction;	100%
With hydrogen; palladium diacetate; pyrographite In tetrahydrofuran; methanol at 25℃; under 760.051 Torr; for 12h;	99%
With hydrogen; palladium diacetate; pyrographite In isopropyl alcohol at 25℃; under 760.051 Torr; for 14h;	99%

: 119-53-9
2-hydroxy-2-phenylacetophenone

: 65-85-0
benzoic acid

Conditions

Conditions	Yield
With NH-pyrazole; air; sodium hydride In tetrahydrofuran for 5h; Ambient temperature;	100%
With iodopentafluorobenzene bis(trifluoroacetate) In water; benzene Mechanism;	94%
With methyl 3,5-bis((1H-1,2,4-triazol-1-yl)methyl)benzoate; oxygen; sodium acetate; nickel dibromide at 120℃; under 760.051 Torr; for 48h;	94%

: 100-52-7
benzaldehyde

: Lithium; (Z)-2-chloro-1-trimethylsilanyl-hex-1-en-1-olate

A: 128649-19-4
(Z)-α-butylcinnamaldehyde

B: 65-85-0
benzoic acid

Conditions

Conditions	Yield
at -78℃; for 3h;	A 97% B 100%
at -78℃; for 3h; Mechanism; further α-chloroacyltrimethylsilanes, further aldehydes;	A 97% B 100%

...Expand

: 611-71-2, 611-72-3, 17199-29-0, 90-64-2
MANDELIC ACID

: 65-85-0
benzoic acid

Conditions

Conditions	Yield
With sodium perborate In acetic acid for 1.5h; steam bath;	100%
With (NMe4)2H2OCH3CN (L = ortho-phenylenebis(N'-methyloxamidate)); oxygen; pivalaldehyde In acetonitrile for 6h; Ambient temperature;	98%
With Oxone; 3,3'-diiodo-2,2',6,6'-tetramethoxy-4,4'-biphenyldicarboxylic acid In nitromethane; water at 30 - 35℃; for 14h;	98%

: 74-11-3
para-chlorobenzoic acid

: 65-85-0
benzoic acid

Conditions

Conditions	Yield
Stage #1: para-chlorobenzoic acid With palladium/alumina; hydrogen; potassium carbonate In water at 60℃; Stage #2: With hydrogenchloride In water	100%
With hydrogen; triethylamine; palladium on activated charcoal In methanol at 20℃; for 6h;	99%
With ammonium formate In water; isopropyl alcohol at 20℃; for 3h;	99%

: 118-91-2
ortho-chlorobenzoic acid

: 65-85-0
benzoic acid

Conditions

Conditions	Yield
With hydrogen; triethylamine; palladium on activated charcoal In methanol at 20℃; for 3h;	100%
With borane-ammonia complex In water; isopropyl alcohol at 40℃; for 3h; Sealed tube;	97%
With 1H-imidazole; copper ammonium sulphate hexahydrate; lithium tert-butoxide In N,N-dimethyl-formamide; isopropyl alcohol for 72h; Irradiation;	87%

: 10364-94-0
1-benzoylimidazole

: 65-85-0
benzoic acid

Conditions

Conditions	Yield
With morpholine; water at 20℃; for 0.333333h;	100%
With 1H-imidazole; potassium chloride In water; acetonitrile at 25 - 50℃; Kinetics; Thermodynamic data; ΔH(excit.), ΔS(excit.), ΔG(excit.);

: 5205-11-8
3-methyl-2-butenyl benzoate

: 65-85-0
benzoic acid

Conditions

Conditions	Yield
With methoxybenzene In toluene for 6h; Heating;	100%
With Montmorillonite K-10 clay; toluene for 0.333333h; Dealkylation; Microwave irradiation;	98%
With sodium hydrogen sulfate; silica gel In dichloromethane at 20℃; for 5h;	95%

: (1R,9R)-9-Phenyl-10,11,12-trioxa-tricyclo[7.2.1.02,7]dodeca-2,4,6-triene

A: 138771-02-5
1,2-bis(3-formyl-4-phenyl)ethane

B: 65-85-0
benzoic acid

Conditions

Conditions	Yield
With iron(II) sulfate In tetrahydrofuran; water at 20℃; for 16h;	A 100% B 95%

: 93-59-4
Perbenzoic acid

: 24364-84-9
bis-benzenesulfenyl-amine

A: 93-99-2
benzoic acid phenyl ester

B: 92-52-4
biphenyl

C: 65-85-0
benzoic acid

D: 882-33-7
diphenyldisulfane

E N2, tar: N2, tar

Conditions

Conditions	Yield
In benzene Kinetics; Product distribution; Mechanism; isotopic effect, effect of benzoic acid and styrene on the reaction;	A 1.4% B 0.2% C 100% D 50% E n/a

...Expand

: 54354-04-0
benzoic acid methoxymethyl ester

: 65-85-0
benzoic acid

Conditions

Conditions	Yield
sodium hydrogen sulfate; silica gel In dichloromethane at 20℃; for 1.5h;	100%
With bismuth(III) chloride; water In acetonitrile at 50℃; for 2h;	89%

: (1-nosyl-5-nitroindol-3-yl)methyl benzoate

: 65-85-0
benzoic acid

Conditions

Conditions	Yield
Stage #1: (1-nosyl-5-nitroindol-3-yl)methyl benzoate With 2-(N,N-dimethylamino)ethylthiol hydrochloride; 1,8-diazabicyclo[5.4.0]undec-7-ene In acetonitrile at 20℃; for 0.25h; Inert atmosphere; Stage #2: With hydrogenchloride In diethyl ether; water; acetonitrile Inert atmosphere;	100%

: [(6-Ph2TPA)Ni(PhC(O)C(OH)C(O)Ph)]ClO4

A: 932703-85-0
[(6-Ph2TPA)Ni(O2CPh)]ClO4

B: 33868-50-7
phenacyl benzoate

C: 201230-82-2
carbon monoxide

D: 134-81-6
benzil

E: 65-85-0
benzoic acid

Conditions

Conditions	Yield
With oxygen	A 100% B n/a C n/a D n/a E n/a

...Expand

: [(bnpapa)Ni(PhC(O)C(OH)C(O)Ph)]ClO4

A: 33868-50-7
phenacyl benzoate

B: 201230-82-2
carbon monoxide

C: [(bnpapa)Ni(O2CPh)]ClO4

D: 134-81-6
benzil

E: 65-85-0
benzoic acid

Conditions

Conditions	Yield
With oxygen In acetonitrile at 20℃;	A n/a B n/a C 100% D 12% E 11 mg

...Expand

: Ca(2-ap)(4-nba)2

: 65-85-0
benzoic acid

Conditions

Conditions	Yield
With hydrogenchloride In water	100%

: 932-90-1
Benzaldoxime

: 65-85-0
benzoic acid

Conditions

Conditions	Yield
With tert.-butylhydroperoxide; vanadia In water at 100℃; for 24h;	100%
With 2,2'-azinobis(3-ethylbenzthiazolinesulfonate); Trametes versicolor laccase In acetonitrile at 20℃; pH=5; Green chemistry; Enzymatic reaction;	20%

: 1459-20-7
1,2-diphenyl-2-oxoethyl benzoate

: 65-85-0
benzoic acid

Conditions

Conditions	Yield
With potassium phosphate; tris(2,2-bipyridine)ruthenium(II) hexafluorophosphate; ascorbic acid In water; acetonitrile at 20℃; for 1h; Reagent/catalyst; Irradiation;	100%
With 2-H-1,3-di-tert-butyl-1,3,2-diazaphosphorinane; 2,2'-azobis(isobutyronitrile); 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane In toluene at 90℃; for 12h; chemoselective reaction;	99%

: 1125-88-8
benzaldehyde dimethyl acetal

: 65-85-0
benzoic acid

Conditions

Conditions	Yield
With poly((divinylbenzene)-0.5 mol-styrenesulfonic acid) In water; toluene at 80℃; for 24h; Schlenk technique; Inert atmosphere;	100%
With 10% Pt/activated carbon; oxygen; sodium hydroxide In water at 80℃; for 24h; Green chemistry; chemoselective reaction;	82%

: 108-94-1
cyclohexanone

: 100-52-7
benzaldehyde

A: 502-44-3
hexahydro-2H-oxepin-2-one

B: 65-85-0
benzoic acid

Conditions

Conditions	Yield
With oxygen In 1,2-dichloro-ethane at 50℃; for 5h; Catalytic behavior; Reagent/catalyst; Temperature; Time;	A 100% B 100%

...Expand

: 62-53-3
aniline

: 65-85-0
benzoic acid

: 93-98-1
N-phenyl benzoyl amide

Conditions

Conditions	Yield
With dmap; triethylamine In dichloromethane at 20℃; for 4h;	100%
With dmap; 2-chloro-1-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)pyridinium trifluoromethanesulfonate; triethylamine In dichloromethane at 20℃; for 4h;	100%
With TEA; 1,2-benzisoxazol-3-yl diphenyl phosphate In various solvent(s) for 2h; Ambient temperature;	99%

: 67-56-1
methanol

: 65-85-0
benzoic acid

: 93-58-3
benzoic acid methyl ester

Conditions

Conditions	Yield
With hydrogenchloride In water for 2h; Heating;	100%
With sulfuric acid Fischer-Speier esterification method; Reflux;	100%
With tetrachloromethane at 20℃; for 72h; UV-irradiation;	99%

: 617-86-7
triethylsilane

: 65-85-0
benzoic acid

: 1018-20-8
triethylsilyl benzoate

Conditions

Conditions	Yield
With indium(III) bromide In dichloromethane-d2 at 20℃;	100%
With palladium diacetate In benzene-d6 for 4h; dehydrocoupling reaction; Heating;	95%
With zinc(II) chloride In N,N-dimethyl-formamide at 120℃; for 25h;	85%

: 111-87-5
octanol

: 65-85-0
benzoic acid

: 94-50-8
n-octyl benzoate

Conditions

Conditions	Yield
With bis(5-norbornenyl-2-methyl) azodicarboxylate; polystyrene-supported PPh3 In tetrahydrofuran Esterification; Mitsunobu reaction;	100%
With toluene-4-sulfonic acid for 0.05h; Irradiation;	97%
With 1-(tert-butyl)-2-(chlorobenzyl) azodicarboxylate; triphenylphosphine In dichloromethane at 0 - 20℃; for 4h; Reagent/catalyst; Mitsunobu Displacement;	97.9%

: 64-17-5
ethanol

: 65-85-0
benzoic acid

: 93-89-0
benzoic acid ethyl ester

Conditions

Conditions	Yield
zirconium(IV) oxide at 200℃; var.: 77 deg C, 5 h in liquid-phase;	100%
With tetrachloromethane at 20℃; for 72h; UV-irradiation;	99%
With alumina methanesulfonic acid at 80℃; for 0.133333h; Microwave irradiation;	98%

: 65-85-0
benzoic acid

: 135-19-3
β-naphthol

: 93-44-7
2-naphthyl benzoate

Conditions

Conditions	Yield
With TiO(acac)2 In xylene for 36h; Heating;	100%
Stage #1: benzoic acid With trifluoroacetic anhydride; indium(III) chloride at 20℃; Stage #2: β-naphthol at 20℃; for 0.166667h;	98%
With N,N-bis[2-oxo-3-oxazolidinyl]phosphorodiamidic chloride; triethylamine In dichloromethane for 1h; Ambient temperature;	91%

: 65-85-0
benzoic acid

: 100-51-6
benzyl alcohol

: 120-51-4
benzoic acid benzyl ester

Conditions

Conditions	Yield
With cyanomethylenetributyl-phosphorane In benzene at 100℃; for 24h;	100%
With TiO(acac)2 In xylene for 15h; Heating;	100%
With fluorosulfonyl fluoride; N-ethyl-N,N-diisopropylamine In 1,2-dichloro-ethane at 20℃; for 5h;	99%

: 65-85-0
benzoic acid

: 98-88-4
benzoyl chloride

Conditions

Conditions	Yield
With 1,2,3-Benzotriazole; thionyl chloride In dichloromethane at 20℃; Substitution;	100%
With oxalyl dichloride; N,N-dimethyl-formamide In dichloromethane at 20℃; for 2h; Reflux;	100%
With oxalyl dichloride; N,N-dimethyl-formamide In dichloromethane at 35℃; for 1h;	100%

: 65-85-0
benzoic acid

: 98-89-5
Cyclohexanecarboxylic acid

Conditions

Conditions	Yield
With potassium Sodium; polyethylene oxide In tetrahydrofuran at 0℃; 12 ethylene oxide units/M(+);	100%
With hydrogen In water at 100℃; under 15001.5 Torr; for 2h;	100%
With C33H49ClNRh; hydrogen In 2,2,2-trifluoroethanol at 20℃; under 51005.1 Torr; for 24h; Autoclave; Molecular sieve;	99%

: 108-98-5
thiophenol

: 65-85-0
benzoic acid

: 884-09-3
phenyl thiobenzoate

Conditions

Conditions	Yield
With PPE for 15h; Ambient temperature;	100%
With TEA; diphenyl (2,3-dihydro-2-thioxo-3-benzoxazolyl)phosphonate In various solvent(s) for 2h; Ambient temperature;	99%
With dmap; picryl fluoride In acetonitrile for 3h; Ambient temperature;	98%

: 107-11-9
1-amino-2-propene

: 65-85-0
benzoic acid

: 10283-95-1
N-allylbenzamide

Conditions

Conditions	Yield
With 1,1'-carbonyldiimidazole In tetrahydrofuran at 60℃; Inert atmosphere;	100%
With benzotriazol-1-ol; N-ethyl-N,N-diisopropylamine In dichloromethane at 0 - 20℃;	83%
Stage #1: benzoic acid With chloroformic acid ethyl ester; triethylamine In dichloromethane at 0℃; for 0.5h; Inert atmosphere; Stage #2: 1-amino-2-propene In dichloromethane Inert atmosphere;	78%

: 60-12-8
2-phenylethanol

: 65-85-0
benzoic acid

: 94-47-3
2-Phenylethyl benzoate

Conditions

Conditions	Yield
With TiO(acac)2 In xylene for 15h; Heating;	100%
With iron(III)-acetylacetonate In 5,5-dimethyl-1,3-cyclohexadiene for 15h; Inert atmosphere; Reflux;	97%
With 4-nitro-diphenylammonium triflate In toluene at 80℃; for 30h;	95%

: 6066-82-6
1-hydroxy-pyrrolidine-2,5-dione

: 65-85-0
benzoic acid

: 23405-15-4
benzoic acid N-hydroxysuccinimide ester

Conditions

Conditions	Yield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 0 - 20℃; for 16h; Inert atmosphere;	100%
With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide at 20℃; for 0.166667h;	97%
With 3-(5-nitro-2-oxo-1,2-dihydro-1-pyridyl)-1,2-benzisothiazole 1,1,-dioxide; triethylamine In dichloromethane -10 deg C -> r.t., overnight;	93%

: 106-95-6
allyl bromide

: 65-85-0
benzoic acid

: 583-04-0
vinyl benzoate

Conditions

Conditions	Yield
With caesium carbonate In acetonitrile for 0.5h; Heating;	100%
With cesium fluoride In acetonitrile for 1.5h; Heating;	99%
With potassium fluoride; tetra(n-butyl)ammonium hydrogensulfate In tetrahydrofuran at 20℃; for 3h;	99%

: 70-11-1
α-bromoacetophenone

: 65-85-0
benzoic acid

: 33868-50-7
phenacyl benzoate

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile room temperature, 20 min -> reflux, 50 min;	100%
With N-ethyl-N,N-diisopropylamine In acetone	100%
With potassium carbonate; 1,4-dimethyl-1,2,4-triazolium iodide In acetonitrile at 40℃; for 3h; Schlenk technique;	99%

: 80-97-7
Cholestanol

: 65-85-0
benzoic acid

: 6030-70-2
5α-cholestan-3α-yl benzoate

Conditions

Conditions	Yield
With tributylphosphine; diamide In benzene at 60℃; for 24h; Product distribution; comparison with Mitsunobu reagent; further secondary alcohols and acids;	100%
With tributylphosphine; diamide In benzene at 60℃; for 24h;	100%
With tributylphosphine; 1,1'-azodicarbonyl-dipiperidine In benzene at 60℃; for 24h;	81%
With 4-nitro-phenol; triphenylphosphine; diethylazodicarboxylate In tetrahydrofuran for 14h; Ambient temperature;	69%
With triphenylphosphine; diethylazodicarboxylate

: Dimethyl-(3-methyl-2-butenyl)-sulfonium tetrafluoroborate

: 65-85-0
benzoic acid

: 31398-79-5
α,α-dimethylallyl benzoate

Conditions

Conditions	Yield
With potassium carbonate; tetrakis(acetonitrile)copper(I)tetrafluoroborate In dichloromethane at 20℃; for 17h;	100%
With potassium carbonate; copper(I) bromide In dichloromethane at 20℃;	92%

Benzoic acid History

Benzoic acid (CAS NO.65-85-0) was discovered in the 16th century. The dry distillation of gum benzoin first described by Nostradamus in 1556, and subsequently by Alexius Pedemontanus (1560) and Blaise de Vigenère (1596). Justus von Liebig and Friedrich Wöhler determined the structure in 1832.They also investigated how hippuric acid is related to it. In 1875, Salkowski discovered the antifungal abilities of Benzoic acid, which was used for a long time in the preservation of benzoate-containing cloudberry fruits.

Benzoic acid Specification

1. Introduction of Benzoic acid
Benzoic acid , its cas register number is 65-85-0. It also can be called Benzenecarboxylic acid; Benzeneformic acid; Benzenemethonic acid; Carboxybenzene; Oracylic acid; phenyl carboxylic acid; Phenylformic acid. It is a white crystals or powder and slightly soluble in water. At high temperature it can react with oxidizing reagents.Dust may be irritating to nose and eyes. At elevated temperatures, fumes may cause irritation of eyes, respiratory system, and skin.

2. Properties of Benzoic acid
H-Bond Donor: 1
H-Bond Acceptor: 2
Melting Point: 121-125 °C(lit.)
Water Solubility: Slightly soluble. 0.34 g/100 mL
Refractive index: 1.504
Stability: Stable. Combustible. Incompatible with strong bases, strong oxidizing agents, alkalies.
Surface Tension: 48.7 dyne/cm
Flash Point: 111.4 °C
Enthalpy of Vaporization: 51.4 kJ/mol
Boiling Point: 249.3 °C at 760 mmHg
Vapour Pressure: 0.0122 mmHg at 25°C

3. Toxicity of Benzoic acid

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
frog	LDLo	subcutaneous	100mg/kg (100mg/kg)		"Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59Vol. 5, Pg. 23, 1959.
guinea pig	LDLo	intraperitoneal	1400mg/kg (1400mg/kg)		"Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59Vol. 5, Pg. 23, 1959.
guinea pig	LDLo	oral	2gm/kg (2000mg/kg)		Muenchener Medicinische Wochenschrift. Vol. 77, Pg. 13, 1930.
human	TDLo	skin	6mg/kg (6mg/kg)	LUNGS, THORAX, OR RESPIRATION: DYSPNEA SKIN AND APPENDAGES (SKIN): "DERMATITIS, ALLERGIC: AFTER SYSTEMIC EXPOSURE"	Journal of Allergy. Vol. 16, Pg. 195, 1945.
man	LDLo	oral	500mg/kg (500mg/kg)		Food and Cosmetics Toxicology. Vol. 17, Pg. 715, 1979.
mouse	LD50	intraperitoneal	1460mg/kg (1460mg/kg)		Comptes Rendus des Seances de la Societe de Biologie et de Ses Filiales. Vol. 160, Pg. 1097, 1966.
mouse	LD50	oral	1940mg/kg (1940mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION GASTROINTESTINAL: OTHER CHANGES	Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 15, Pg. 359, 1984.
rabbit	LD50	skin	> 10gm/kg (10000mg/kg)		BIOFAX Industrial Bio-Test Laboratories, Inc., Data Sheets. Vol. 28-4/1973,
rabbit	LDLo	oral	2gm/kg (2000mg/kg)		"Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59Vol. 5, Pg. 23, 1959.
rabbit	LDLo	subcutaneous	2gm/kg (2000mg/kg)		"Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59Vol. 5, Pg. 23, 1959.
rat	LC50	inhalation	> 26mg/m3/1H (26mg/m3)	SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)	BIOFAX Industrial Bio-Test Laboratories, Inc., Data Sheets. Vol. 28-4/1973,
rat	LD50	intraperitoneal	1600mg/kg (1600mg/kg)		Bollettino Chimico Farmaceutico. Vol. 112, Pg. 53, 1973.
rat	LD50	intravenous	1700mg/kg (1700mg/kg)		Acta Physiologica Polonica. Vol. 12, Pg. 173, 1961.
rat	LD50	oral	1700mg/kg (1700mg/kg)		International Polymer Science and Technology. Vol. 3, Pg. 93, 1976.

4. Safety Information of Benzoic acid
Hazard Codes:

Xn,

T
Risk Statements: 22-36-42/43-36/37/38-40-63-43-23/24/25-45
22: Harmful if swallowed
36: Irritating to the eyes
42/43: May cause sensitization by inhalation and skin contact
36/37/38: Irritating to eyes, respiratory system and skin
40: Limited evidence of a carcinogenic effect
63: In case of accident by inhalation, remove casualty to fresh air and keep at rest
43: In case of fire, use ... (indicate in the space the precise type of fire-fighting equipment. If water increases the risk add - Never use water)
23/24/25: Toxic by inhalation, in contact with skin and if swallowed
45: May cause cancer
41: Risk of serious damage to eyes
37/38: Irritating to respiratory system and skin
20/21/22: Harmful by inhalation, in contact with skin and if swallowed
Safety Statements: 26-45-37/39-24-22-36/37-24/25-23-53
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
45: In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
37/39: Wear suitable gloves and eye/face protection
24: Avoid contact with skin
22: Do not breathe dust
36/37: Wear suitable protective clothing and gloves
24/25: Avoid contact with skin and eyes
23: Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer)
53: Avoid exposure - obtain special instruction before use
36: Wear suitable protective clothing
RIDADR: UN 3077 9/PG 3
WGK Germany: 1
RTECS: DG0875000
F: 21
Hazard Note: Harmful

5. Use of Benzoic acid
The usage of the Benzoic acid as following:
1.Feedstock: It is an important precursor for the synthesis of many other organic substances.
2.Food preservative: It and its salts are used as a food preservative.
3.Medicinal
4.Biology and health effects

6. Preparation of Benzoic acid
Benzoic acid is cheap and readily available, so the laboratory synthesis of benzoic acid is mainly practiced for its pedagogical value.
For all syntheses, it can be purified by recrystallization from water because of its high solubility in hot water and poor solubility in cold water. The avoidance of organic solvents for the recrystallization makes this experiment particularly safe. Other possible recrystallization solvents include acetic acid (anhydrous or aqueous), benzene, petroleum ether, and a mixture of ethanol and water.
It can be manufactured by the liquid-phase oxidation of toluene by air in a continuous oxidation reactor operated at moderate pressure and temperature:
2C₆H₅CH₃ + 3O₂ → 2C₆H₅COOH + 4H₂O
It also can be obtained as a by-product of the manufacture of benzaldehyde from benzal chloride or benzyl chloride.

Product Name

Benzoic acid

Synthetic route

Benzoic acid History

Benzoic acid Specification

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