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99-04-7

Basic Information
CAS No.: 99-04-7
Name: m-Toluic acid
Molecular Structure:
Molecular Structure of 99-04-7 (m-Toluic acid)
Formula: C8H8O2
Molecular Weight: 136.16
Synonyms: 3-methylbenzoate; zinc(+2) cation;Benzoic acid, 3-methyl-, cadmium salt;beta-Bethylbenzoic acid;Zinc 3-methylbenzoate;m-Methylbenzoate;Barium 3-methylbenzoate;Benzoic acid, 3-methyl-;m-Methylbenzoic acid;Cadmium 3-methylbenzoate;Benzoic acid, 3-methyl-, barium salt;beta-Methylbenzoic acid;Barium m-toluate;3-methylbenzoate;3-methylbenzoic acid;Zinc m-toluate;1/C8H8O2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H,9,10;cadmium(+2) cation; 3-methylbenzoate;Benzoic acid, 3-methyl-, zinc salt;Cadmium m-toluate;m-Toluicacid;
EINECS: 202-723-9
Density: 1.151 g/cm3
Melting Point: 108 °C
Boiling Point: 263.8 °C at 760 mmHg
Flash Point: 120 °C
Solubility: water: 1.054 g/mL at 25 °C(lit.)
Appearance: off-white crystalline solid
Hazard Symbols: HarmfulXn
Risk Codes: 22
Safety: 22-24/25-36
Transport Information:
PSA: 37.30000
LogP: 1.69320
Synthetic route
620-23-5

m-tolyl aldehyde

99-04-7

m-Toluic acid

Conditions
ConditionsYield
With 2-mesityl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-2-ium tetrafluoroborate; 1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine In acetonitrile at 20℃;99%
With tert.-butylhydroperoxide; water; iodine; sodium hydroxide at 70℃; pH=10; Green chemistry;95%
With 2-mesityl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-2-ium tetrafluoroborate; 1,4-diaza-bicyclo[2.2.2]octane; oxygen In tetrahydrofuran at 20℃; for 16h;95%
201230-82-2

carbon monoxide

625-95-6

3-Iodotoluene

99-04-7

m-Toluic acid

Conditions
ConditionsYield
With amphiphilic resin-supported phosphine-palladium; water; potassium carbonate at 25℃; under 760 Torr; hydroxycarbonylation;99%
With water; potassium carbonate In acetonitrile at 100℃; under 3750.38 Torr; for 0.0161111h;98%
With 4,4’‐bis(trimethylammoniummethyl)‐2,2’‐bipyridine; bis-triphenylphosphine-palladium(II) chloride; water; sodium carbonate In water at 100℃; under 7600.51 Torr; for 24h; Catalytic behavior; Autoclave;86%
With water; palladium diacetate; triethylamine; 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene In 1,4-dioxane at 100℃; under 11251.1 Torr; Flow reactor;58%
620-22-4

3-Methylbenzonitrile

99-04-7

m-Toluic acid

Conditions
ConditionsYield
With water; sodium hydroxide at 100℃; for 4h; Temperature;98.5%
With hydrogenchloride im Druckrohr;
With steam; thorium dioxide at 420℃;
With sulfuric acid
With nitrilase from Gordonia terrae In aq. phosphate buffer at 35℃; for 1h; pH=8; Enzymatic reaction;
61560-94-9

3-methylphenyloxoacetic acid

99-04-7

m-Toluic acid

Conditions
ConditionsYield
With oxone In N,N-dimethyl-formamide for 4h;98%
73318-83-9

2-oxo-2-(m-tolyl)acetaldehyde

99-04-7

m-Toluic acid

Conditions
ConditionsYield
With oxone In N,N-dimethyl-formamide for 4h;98%
With tert.-butylhydroperoxide for 7h;82%
587-03-1

3-methylbenzyl alcohol

99-04-7

m-Toluic acid

Conditions
ConditionsYield
With diethylene glycol dimethyl ether at 70℃; for 0.5h; Sonication;97%
With oxygen; sodium hydroxide In water at 80℃; for 10h; Catalytic behavior;97%
With tert.-butylhydroperoxide; water; iodine; sodium hydroxide at 70℃; pH=10; Green chemistry;90%
618-51-9

3-Iodobenzoic acid

MeSnBr3

MeSnBr3

99-04-7

m-Toluic acid

Conditions
ConditionsYield
With potassium hydroxide; palladium dichloride In water at 100℃; for 5h; Condensation;97%
136125-68-3

methyl 3-methylphenylglyoxylate

99-04-7

m-Toluic acid

Conditions
ConditionsYield
With oxone In N,N-dimethyl-formamide for 4h;97%
108-38-3

m-xylene

A

121-91-5

isophthalic acid

B

619-21-6

m-formylphenyl benzoic acid

C

99-04-7

m-Toluic acid

Conditions
ConditionsYield
With dihydrogen peroxide In dimethyl sulfoxide at 70℃; for 10h; Catalytic behavior; Reagent/catalyst; Overall yield = > 99 %;A 96%
B n/a
C n/a
With cobalt(II) acetate; manganese(II) acetate; acetic acid; 3-benzyl-1-methylimidazolium bromide at 215℃; for 3h;
53663-39-1

3-methyl-2-bromobenzoic acid

99-04-7

m-Toluic acid

Conditions
ConditionsYield
With isopropyl alcohol for 5h; Schlenk technique; Inert atmosphere; Irradiation; Heating;96%
With [RhCl2(p-cymene)]2; cesium acetate In isopropyl alcohol at 20 - 100℃; for 24h; Inert atmosphere;94%
With [ruthenium(II)(η6-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]2; cesium acetate; isopropyl alcohol at 100℃; Schlenk technique; Inert atmosphere;93%
15068-35-6

2-chloro-3-methylbenzoic acid

99-04-7

m-Toluic acid

Conditions
ConditionsYield
With isopropyl alcohol for 20h; Schlenk technique; Inert atmosphere; Irradiation; Heating;96%
99-36-5

1-methoxycarbonyl-3-methylbenzene

99-04-7

m-Toluic acid

Conditions
ConditionsYield
With iodine; aluminium In acetonitrile at 80℃; for 18h;95%
With iron(III) chloride hexahydrate In glycerol at 70℃; for 14h;93%
With magnesium iodide In toluene for 72h; Heating;48%
17933-03-8

m-tolylboronic acid

141-97-9

ethyl acetoacetate

99-04-7

m-Toluic acid

Conditions
ConditionsYield
With copper(l) iodide; potassium carbonate In dimethyl sulfoxide at 100℃; for 24h; Inert atmosphere;95%
64-18-6

formic acid

625-95-6

3-Iodotoluene

99-04-7

m-Toluic acid

Conditions
ConditionsYield
With palladium diacetate; triethylamine; dicyclohexyl-carbodiimide; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene In N,N-dimethyl-formamide at 80℃; for 10h; Inert atmosphere; Sealed tube;94%
With palladium diacetate; triethylamine; dicyclohexyl-carbodiimide; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene In N,N-dimethyl-formamide at 100℃; for 20h; Inert atmosphere; Sealed tube;82%

3-methyl-benzoic acid 3-methyl-but-2-enyl ester

99-04-7

m-Toluic acid

Conditions
ConditionsYield
With H-β zeolite; methoxybenzene In toluene for 2.5h; Heating;93%
1875-89-4

2-(3-methylphenyl)ethanol

99-04-7

m-Toluic acid

Conditions
ConditionsYield
With oxygen; sodium t-butanolate In tetrahydrofuran at 20℃; under 750.075 Torr; for 22h; chemoselective reaction;93%
32578-31-7

3-tolyl triflate

99-04-7

m-Toluic acid

Conditions
ConditionsYield
With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; potassium acetate In 1,4-dioxane; water at 20℃; for 16h; Schlenk technique; Inert atmosphere; chemoselective reaction;93%

methyl 3-oxo-3-(m-tolyl)propanedithioate

99-04-7

m-Toluic acid

Conditions
ConditionsYield
With sodium hydroxide In water at 100℃; for 9h; Reflux; chemoselective reaction;93%
620-23-5

m-tolyl aldehyde

A

121-91-5

isophthalic acid

B

99-04-7

m-Toluic acid

Conditions
ConditionsYield
With potassium ferrate(VI) In neat (no solvent) for 5h; Milling;A n/a
B 92.8%
137932-33-3

benzyl 3-methylbenzoate

108-88-3

toluene

A

620-47-3

1-methyl-3-(phenylmethyl)-benzene

B

620-83-7

1-methyl-4-(phenylmethyl)benzene

C

713-36-0

2-benzyltoluene

D

99-04-7

m-Toluic acid

Conditions
ConditionsYield
With boron trifluoride diethyl etherate; water at 80℃; for 2h; regioselective reaction;A n/a
B n/a
C n/a
D 92%
38362-90-2

3-nitroxylene

99-04-7

m-Toluic acid

Conditions
ConditionsYield
With water; tetra-(n-butyl)ammonium iodide at 80℃; for 15h; Reagent/catalyst;92%
With tetra-(n-butyl)ammonium iodide; acetic acid In water at 80℃; for 15h; Reagent/catalyst;87%
With zinc diacetate; water; tetra-(n-butyl)ammonium iodide at 80℃; for 24h;84%
766-82-5

1-ethynyl-3-methyl-benzene

99-04-7

m-Toluic acid

Conditions
ConditionsYield
With oxone; sodium hydrogencarbonate In water; acetonitrile at 20℃; for 7h;91%

m-tolyl 2,3,4,5,6-pentafluorobenzenesulfonate

99-04-7

m-Toluic acid

Conditions
ConditionsYield
With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; potassium acetate In 1,4-dioxane; water at 20℃; for 16h; Schlenk technique; Inert atmosphere; chemoselective reaction;91%
625-95-6

3-Iodotoluene

556-63-8

lithium formate

99-04-7

m-Toluic acid

Conditions
ConditionsYield
Stage #1: lithium formate With acetic anhydride; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃;
Stage #2: 3-Iodotoluene With tris(dibenzylideneacetone)dipalladium (0); lithium chloride In N,N-dimethyl-formamide at 80℃; for 5.5h;
90%
64-17-5

ethanol

620-23-5

m-tolyl aldehyde

A

120-33-2

ethyl 3-methylbenzoate

B

99-04-7

m-Toluic acid

Conditions
ConditionsYield
With sodium cyanide In N,N-dimethyl-formamide at 80℃; for 24h; Molecular sieve;A 90%
B 6%
124-38-9

carbon dioxide

352-70-5

m-Fluorotoluene

99-04-7

m-Toluic acid

Conditions
ConditionsYield
Stage #1: m-Fluorotoluene With C78H70Al2Cl4N6P4Rh2; magnesium; ethylene dibromide In tetrahydrofuran at -30℃; for 22h; Inert atmosphere; Glovebox;
Stage #2: carbon dioxide In tetrahydrofuran at 20℃; under 760.051 Torr; for 0.5h;
90%
124-38-9

carbon dioxide

1422-76-0

3-methylbenzenediazonium tetrafluoroborate

99-04-7

m-Toluic acid

Conditions
ConditionsYield
With tetra(n-butyl)ammonium hydrogensulfate In N,N-dimethyl-formamide for 2h; Electrochemical reaction;88%
124-38-9

carbon dioxide

591-17-3

meta-bromotoluene

99-04-7

m-Toluic acid

Conditions
ConditionsYield
With manganese; 2.9-dimethyl-1,10-phenanthroline; lithium acetate; cobalt(II) bromide In N,N-dimethyl acetamide at 20℃; under 760.051 Torr; for 12h; Inert atmosphere; Schlenk technique;88%
With tetrabutylammonium tetrafluoroborate In N,N-dimethyl-formamide at 20℃; under 760.051 Torr; for 4h; Electrolysis;78%
With [2,2]bipyridinyl; lithium chloride; cobalt(II) iodide; zinc In N,N-dimethyl-formamide; acetonitrile at 40℃; under 760.051 Torr; for 14h; Sealed tube;45%
108-38-3

m-xylene

99-04-7

m-Toluic acid

Conditions
ConditionsYield
With tert.-butylhydroperoxide; water at 20℃; for 12h; Inert atmosphere;87%
With cobalt(II) 5,10,15,20-tetraphenylporphyrin; oxygen at 200℃; under 19502 Torr; Pressure; Temperature; Reagent/catalyst;78.9%
With iron(III) sulfate In water; acetonitrile for 16h; Irradiation; Sealed tube;75%
108-38-3

m-xylene

A

121-91-5

isophthalic acid

B

99-04-7

m-Toluic acid

Conditions
ConditionsYield
With N-hydroxyphthalimide; air; cobalt(II) acetate; manganese(II) acetate In acetic acid at 150℃; under 22801.5 Torr; for 3h;A 87%
B 7%
Stage #1: m-xylene With hafnium(IV) oxide; N-hydroxy-o-sulphonyl benzamide; C32H12F4FeN8; C44H28N4O8Ru; oxygen at 145℃; under 6000.6 Torr; for 1.6h;
Stage #2: With hafnium(IV) oxide; N-hydroxy-o-sulphonyl benzamide; C32H12F4FeN8; C44H28N4O8Ru; oxygen; acetic acid at 176℃; under 13501.4 Torr; for 2.2h; Temperature; Pressure; Reagent/catalyst;
A 84.4%
B 15.6%
With N-hydroxyphthalimide; oxygen; nitric acid at 110℃; under 760.051 Torr; for 6h; Ionic liquid;A 71%
B n/a
67-56-1

methanol

99-04-7

m-Toluic acid

99-36-5

1-methoxycarbonyl-3-methylbenzene

Conditions
ConditionsYield
With sulfuric acid at 20℃; for 15h; Heating / reflux;100%
With sulfuric acid for 4h; Reflux;100%
With thionyl chloride at 0 - 20℃; for 5h;99%
99-04-7

m-Toluic acid

1711-06-4

3-Methylbenzoyl chloride

Conditions
ConditionsYield
Stage #1: m-Toluic acid With N,N-dimethyl-formamide In dichloromethane at 0℃; for 0.0833333h;
Stage #2: With oxalyl dichloride In dichloromethane at 20℃; for 12h;
100%
With thionyl chloride; N,N-dimethyl-formamide at 90℃; for 3h;99.3%
With thionyl chloride; tetra(n-butyl)ammonium hydrogensulfate In 5,5-dimethyl-1,3-cyclohexadiene at 45℃; for 4.5h; Temperature; Reagent/catalyst; Solvent; Large scale;98.2%
111-70-6

n-heptan1ol

99-04-7

m-Toluic acid

5462-02-2

heptyl 3-methylbenzoate

Conditions
ConditionsYield
With Candida antarctica lipase B immobilised in a macroporous DVB crosslinked polymer (Novozym 435) In cyclohexane at 80℃; for 24h; Enzymatic reaction;100%
With diphenylphosphinopolystyrene; diethylazodicarboxylate In tetrahydrofuran at 25℃; for 4h;90%
99-04-7

m-Toluic acid

31673-44-6

3-methylcyclohexa-2,5-dienecarboxylic acid

Conditions
ConditionsYield
With sodium In ammonia100%
With ammonia; sodium In tetrahydrofuran for 0.5h;80%
With ammonia; sodium
75685-01-7

2,2'-dimethoxy-1,1'-binaphthyl

99-04-7

m-Toluic acid

6,6'-bis(3-methylbenzoyl)-2,2'-dimethoxy-1,1'-binaphthyl

Conditions
ConditionsYield
With methanesulfonic acid; phosphorus pentoxide at 60℃; for 24h; Friedel-Crafts acylation;100%
1438397-77-3

N-(2-aminoethyl)-4-methyl-N-(prop-2-yn-1-yl)benzenesulfonamide

99-04-7

m-Toluic acid

3-methyl-N-[2-(N-propargyl-N-tosylamino)ethyl]benzamide

Conditions
ConditionsYield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 20℃; for 0.5h;100%
99-04-7

m-Toluic acid

59646-37-6

2,5-bis(3-methylphenyl)-1,3,4-oxadiazole

Conditions
ConditionsYield
With hydrazine dihydrochloride; phosphoric acid; trichlorophosphate In water at 140℃; for 2h; Condensation;99.8%
With hydrazine dihydrochloride; phosphoric acid; phosphorus pentoxide at 130℃; for 0.0833333h; microwave irradiation;97%
With sodium tetrahydroborate; hydrazine dihydrochloride; phosphoric acid at 170 - 180℃; Inert atmosphere; Neat (no solvent);89%
74-88-4

methyl iodide

99-04-7

m-Toluic acid

31689-43-7

1-methyl-3-methylcyclohexa-2,5-dienecarboxylic acid

Conditions
ConditionsYield
Stage #1: m-Toluic acid With ammonia; lithium In water at -60℃; for 0.5h; Birch reduction;
Stage #2: methyl iodide In water regioselective reaction;
99%
(i) Li, liq. NH3, (ii) /BRN= 969135/; Multistep reaction;
Stage #1: m-Toluic acid With lithium In ammonia at -78 - -60℃; Birch reduction; liquid NH3;
Stage #2: methyl iodide Cooling with ice;
74-83-9

methyl bromide

99-04-7

m-Toluic acid

31689-43-7

1-methyl-3-methylcyclohexa-2,5-dienecarboxylic acid

Conditions
ConditionsYield
Stage #1: m-Toluic acid With ammonia; lithium at -60℃; Birch reduction;
Stage #2: methyl bromide at -60 - 20℃;
99%
99-56-9

4-Nitrophenylene-1,2-diamine

99-04-7

m-Toluic acid

1571-91-1

5-nitro-2-(m-tolyl)-1H-benzo[d]imidazole

Conditions
ConditionsYield
With polyphosphoric acid (PPA) at 120 - 150℃; for 5h;99%
With polyphosphoric acid at 120 - 150℃; for 5h;99%
5335-87-5

4,4'-dimethoxyphenyl disulfide

99-04-7

m-Toluic acid

1-[(4-methoxyphenyl)thio]-3-methylbenzene

Conditions
ConditionsYield
With manganese; 1,3-bis[(diphenylphosphino)propane]dichloronickel(II); 1,3-bis-(diphenylphosphino)propane; 2,2-dimethylpropanoic anhydride; zinc In toluene at 160℃; for 24h; Sealed tube; Inert atmosphere;99%
30433-91-1

[2-(2-thyenyl)ethyl]amine

99-04-7

m-Toluic acid

[2-(2-thienyl)ethylamino](m-tolyl)formaldehyde

Conditions
ConditionsYield
With benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃;98%
1429402-56-1

N-(phenylethynyl)-S-methyl-S-phenylsulfoximine

99-04-7

m-Toluic acid

C23H21NO3S

Conditions
ConditionsYield
In tetrahydrofuran at 20℃; for 1h; Inert atmosphere; regioselective reaction;98%
941-55-9

4-toluenesulfonyl azide

99-04-7

m-Toluic acid

152126-61-9

N-<(4-Methylphenyl)sulfonyl>-3-methylbenzenecarboxamide

Conditions
ConditionsYield
With dicobalt octacarbonyl; tert-butylisonitrile In acetonitrile at 80℃; for 4h;98%
With copper(l) iodide; methyl ethynyl ketone In acetonitrile at 80℃; for 4h;72%
1877-77-6

3-aminobenzenemethanol

99-04-7

m-Toluic acid

C15H15NO2

Conditions
ConditionsYield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃;98%
99-03-6

1-(3-aminophenyl)ethanone

99-04-7

m-Toluic acid

315669-99-9

C16H15NO2

Conditions
ConditionsYield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; Cooling;98%
616-38-6

carbonic acid dimethyl ester

99-04-7

m-Toluic acid

99-36-5

1-methoxycarbonyl-3-methylbenzene

Conditions
ConditionsYield
With sulfuric acid; acetic acid at 85 - 90℃; for 12h; Neat (no solvent); Large scale reaction;97.65%
88-10-8

N,N-diethylcarbamyl chloride

99-04-7

m-Toluic acid

134-62-3

N,N-Diethyl-3-methylbenzamide

Conditions
ConditionsYield
With triethylamine at 20℃; for 0.333333h;97.5%
With triethylamine at 20℃; for 0.333333h;97.5%
95-54-5

1,2-diamino-benzene

99-04-7

m-Toluic acid

6528-83-2

2-(m-tolyl)-1H-benzo[d]imidazole

Conditions
ConditionsYield
Stage #1: m-Toluic acid In dichloromethane at 0℃; for 0.25h;
Stage #2: 1,2-diamino-benzene With pyridine In dichloromethane at 20℃; for 6h; Further stages.;
97%
With polyphosphoric acid In toluene at 165℃; for 6h;89%
With propylene glycol at 170℃; for 18h;78.5%
501-65-5

diphenyl acetylene

99-04-7

m-Toluic acid

93743-65-8

7-methyl-3,4-diphenyl-1H-2-benzopyran-1-one

Conditions
ConditionsYield
With dichloro[1,3-di(ethoxycarbonyl)-2,4,5-trimethylcyclopentadienyl]rhodium(III) dimer; copper(II) acetate monohydrate; silver(I) triflimide In dichloromethane at 20℃; for 24h; Sealed tube;97%
With carbonyl(pentamethylcyclopentadienyl)cobalt diiodide; sodium acetate; copper(II) oxide In 2,2,2-trifluoroethanol at 80℃; for 24h; Schlenk technique; Molecular sieve; Inert atmosphere;87%
With silver hexafluoroantimonate; [ruthenium(II)(η6-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]2; copper(II) acetate monohydrate at 80℃; for 18h; Green chemistry; regioselective reaction;80%
593-56-6

N-methoxylamine hydrochloride

99-04-7

m-Toluic acid

72755-11-4

N-methoxy-3-methylbenzamide

Conditions
ConditionsYield
With 1,1'-carbonyldiimidazole In tetrahydrofuran at 20℃;97%
Stage #1: m-Toluic acid With oxalyl dichloride; N,N-dimethyl-formamide In dichloromethane at 0 - 20℃; for 4h; Under an atmosphere of argon;
Stage #2: N-methoxylamine hydrochloride With potassium carbonate In water; ethyl acetate at 0 - 20℃; for 4h;
96%
95-14-7

1,2,3-Benzotriazole

99-04-7

m-Toluic acid

313549-89-2

(1H-benzo-[d][1,2,3]triazol-1-yl)(m-tolyl)methanone

Conditions
ConditionsYield
Stage #1: m-Toluic acid With iodine; triphenylphosphine In dichloromethane at 0℃; for 0.5h;
Stage #2: 1,2,3-Benzotriazole In dichloromethane at 0℃; for 0.166667h;
Stage #3: With triethylamine In dichloromethane at 20℃; for 0.5h;
97%
With thionyl chloride In dichloromethane for 2h; Inert atmosphere;95%
With thionyl chloride In dichloromethane at 20℃;84%
68820-12-2

cyclohexyl-N-tosyl aziridine

99-04-7

m-Toluic acid

2-(4-methylphenylsulfonamido)cyclohexyl 3-methylbenzoate

Conditions
ConditionsYield
With potassium hydroxide In dimethyl sulfoxide at 45℃; for 2h;97%
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    99-04-7

    High purity m-Toluic acid 99.0%min

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    99-04-7

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    Product name: M-Toluic Acid CAS No.:99-04-7 Molecule Formula:C8H8O2 Molecule Weight:135.14 Purity: 99.0% Package: 25kg/drum Description:White crystalline powder Manufacture Standards:Enterprise Standard TESTING ITE

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Chemistry

IUPAC Name: 3-Methylbenzoic acid
Synonyms: 3-Methylbenzoic acid ; Benzoic acid, 3-methyl- ; 3-Methyl-Benzoic Acid ; 3-Toluic acid
Product Categories: Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts;Organic acids
Molecular Structure of M-toluic acid (CAS NO.99-04-7) :
Molecular Formula of M-toluic acid (CAS NO.99-04-7) : C8H8O2
Molecular Weight of M-toluic acid (CAS NO.99-04-7) : 136.15
CAS NO: 99-04-7
EINECS: 202-723-9
Index of Refraction: 1.556
Surface Tension: 45.4 dyne/cm
Density: 1.151 g/cm3
Flash Point: 120 °C
Enthalpy of Vaporization: 53 kJ/mol
Boiling Point: 263.8 °C at 760 mmHg
Vapour Pressure: 0.00506 mmHg at 25°C
Melting point: 108 °C
Water Solubility : <0.1 g/100 mL at 19 ºC
Stability: Stable. Combustible. Incompatible with strong oxidizing agents
General Description :White to yellowish crystals or mostly yellow flaky solid (with some white flakes). Has a floral-honey odor.

Uses

It serves, among other purposes, as a precursor to DEET (N,N diethyl-m-toluamide) the well-known insect repellent.

 

Production

Preparation Products: 3-Carboxybenzaldehyde-->3-(4-Methylpiperazin-1-ylmethyl)benzoic acid-->Methyl 3-(morpholinomethyl)benzoate ,98%-->METHYL 3-((PYRROLIDIN-1-YL)METHYL)BENZOATE-->3-(BROMOMETHYL)BENZOIC ACID-->3-BENZOYLPHENYLACETIC ACID-->3-Methylbenzophenone-->N,N-Diethyl-3-methylbenzamide
Raw materials :m-Xylene-->1,3-Bisbenzyl-2-oxoimidazolidine-4,5-dicarboxylic acid 
  M-toluic acid (CAS NO.99-04-7) is derived from m-Xylene catalytic oxidation. cobalt naphthenate as a catalyst , m-Xylene oxidation by using air , the reaction temperature is 125-135 °C, pressure is about 0.25MPa. Per ton of product consumption of 1700kg m-Xylene.

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 562mg/kg (562mg/kg) BEHAVIORAL: REGIDITY

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)
Journal of Medicinal Chemistry. Vol. 11, Pg. 1020, 1968.
mouse LD50 oral 1630mg/kg (1630mg/kg) BEHAVIORAL: MUSCLE WEAKNESS

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

GASTROINTESTINAL: NAUSEA OR VOMITING
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 18(7), Pg. 57, 1974.
rat LD oral > 5gm/kg (5000mg/kg) BEHAVIORAL: EXCITEMENT

GASTROINTESTINAL: NAUSEA OR VOMITING
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 18(7), Pg. 57, 1974.

Safety Profile

Hazard Codes HarmfulXn
Risk Statements 22 
R22:Harmful if swallowed.
Safety Statements 22-24/25-36
S22:Do not breathe dust. 
S24/25:Avoid contact with skin and eyes. 
S36:Wear suitable protective clothing.
WGK Germany 3
RTECS XU1200000
HS Code 29163900

Specification

1.Air & Water Reactions :Fine dust dispensed in air in sufficient concentrations, and in the presence of an ignition source is a potential dust explosion hazard. . Insoluble in water.
Reactivity Profile m-Toluic acid is a carboxylic acid. Carboxylic acids donate hydrogen ions if a base is present to accept them. They react in this way with all bases, both organic (for example, the amines) and inorganic. Their reactions with bases, called "neutralizations", are accompanied by the evolution of substantial amounts of heat. Neutralization between an acid and a base produces water plus a salt. Carboxylic acids with six or fewer carbon atoms are freely or moderately soluble in water; those with more than six carbons are slightly soluble in water. Soluble carboxylic acid dissociate to an extent in water to yield hydrogen ions. The pH of solutions of carboxylic acids is therefore less than 7.0. Many insoluble carboxylic acids react rapidly with aqueous solutions containing a chemical base and dissolve as the neutralization generates a soluble salt. Carboxylic acids in aqueous solution and liquid or molten carboxylic acids can react with active metals to form gaseous hydrogen and a metal salt. Such reactions occur in principle for solid carboxylic acids as well, but are slow if the solid acid remains dry. Even "insoluble" carboxylic acids may absorb enough water from the air and dissolve sufficiently in m-Toluic acid to corrode or dissolve iron, steel, and aluminum parts and containers. Carboxylic acids, like other acids, react with cyanide salts to generate gaseous hydrogen cyanide. The reaction is slower for dry, solid carboxylic acids. Insoluble carboxylic acids react with solutions of cyanides to cause the release of gaseous hydrogen cyanide. Flammable and/or toxic gases and heat are generated by the reaction of carboxylic acids with diazo compounds, dithiocarbamates, isocyanates, mercaptans, nitrides, and sulfides. Carboxylic acids, especially in aqueous solution, also react with sulfites, nitrites, thiosulfates (to give H2S and SO3), dithionites (SO2), to generate flammable and/or toxic gases and heat. Their reaction with carbonates and bicarbonates generates a harmless gas (carbon dioxide) but still heat. Like other organic compounds, carboxylic acids can be oxidized by strong oxidizing agents and reduced by strong reducing agents. These reactions generate heat. A wide variety of products is possible. Like other acids, carboxylic acids may initiate polymerization reactions; like other acids, they often catalyze (increase the rate of) chemical reactions. m-Toluic acid is incompatible with strong oxidizers.
2.Fire Hazard Flash point data for m-Toluic acid are not available; however, m-Toluic acid is probably combustible.

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