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99-94-5

Basic Information
CAS No.: 99-94-5
Name: p-Toluic acid
Molecular Structure:
Molecular Structure of 99-94-5 (p-Toluic acid)
Formula: C8H8O2
Molecular Weight: 136.16
Synonyms: Crithminic acid;Barium p-toluate;Benzoic acid, 4-methyl-, barium salt;Toluenecarboxylic acid;cadmium(+2) cation; 4-methylbenzoate;4-Methylbenzoic acid;p-Carboxytoluene;Toluate;p-Toluate;Zinc 4-methylbenzoate;p-Methylbenzoic acid;Benzoic acid, 4-methyl-, zinc salt;Barium 4-methylbenzoate;Zinc p-toluate;Benzoic acid, 4-methyl-;4-Toluic acid;Cadmium p-toluate;Benzoic acid, 4-methyl-, cadmium salt;4-methyl benzoic acid;methyl-benzoic acid;p-toluic acid;4-methylbenzoic acid;p-Toluicacid;
EINECS: 202-803-3
Density: 1.151 g/cm3
Melting Point: 179 °C
Boiling Point: 275.3 °C at 760 mmHg
Flash Point: 124.7 °C
Solubility: water: <0.1 g/100 mL at 19 °C
Appearance: colourless crystals or white crystalline powder
Hazard Symbols: HarmfulXn
Risk Codes: 22
Safety: 22-24/25
Transport Information:
PSA: 37.30000
LogP: 1.69320
Synthetic route
589-18-4

4-Methylbenzyl alcohol

99-94-5

p-Toluic acid

Conditions
ConditionsYield
With oxygen; potassium hydroxide In methanol; water at 50℃; under 760.051 Torr; for 4h;100%
With oxygen; potassium hydroxide In toluene at 100℃; under 760.051 Torr; for 12h;99%
With periodic acid; pyridinium chlorochromate In acetonitrile98%
104-87-0

4-methyl-benzaldehyde

99-94-5

p-Toluic acid

Conditions
ConditionsYield
With phosphate-buffered silica gel supported KMnO4 In cyclohexane at 65℃;100%
With periodic acid; tripropylammonium fluorochromate (VI) In acetonitrile at 0℃; for 1.5h;100%
With [Cu2C6H4(CHNCH2CH2N(CH2C5H4N)2)2](2+)*2ClO4(1-)=C36H38Cu2N8(ClO4)2; oxygen In acetone at -90.16℃;100%
67-56-1

methanol

111077-41-9

1-pyrenylmethyl p-toluate

A

91385-15-8

methyl 1-pyrenylmethyl ether

B

99-94-5

p-Toluic acid

Conditions
ConditionsYield
for 0.5h; Irradiation;A 95%
B 100%
for 0.5h; Product distribution; Irradiation; recovery of carboxylic acids from their 1-pyrenylmethyl esters;A 95%
B 100%
for 2h; Quantum yield; Irradiation;A n/a
B 80%
201230-82-2

carbon monoxide

624-31-7

4-tolyl iodide

99-94-5

p-Toluic acid

Conditions
ConditionsYield
With potassium carbonate; palladium diacetate In water; N,N-dimethyl-formamide at 25℃; under 760 Torr; for 4h;100%
With potassium hydroxide; amphiphilic resin-supported phosphine-palladium; water at 25℃; under 760 Torr; for 12h; Product distribution; Further Variations:; Reagents; hydroxycarbonylation;100%
With dichloro bis(acetonitrile) palladium(II); sodium dodecyl-sulfate; potassium carbonate In water; toluene; butan-1-ol at 50℃; under 760 Torr; for 4h;92%

4-methyl-benzoic acid 4-nitro-benzyloxymethyl ester

99-94-5

p-Toluic acid

Conditions
ConditionsYield
With tetrabutyl ammonium fluoride In tetrahydrofuran Product distribution;100%
74260-32-5

p-methylbenzyltri-n-butyl-stannane

99-94-5

p-Toluic acid

Conditions
ConditionsYield
With C2H2Cl2F3O2V; oxygen In tert-butyl alcohol at 50℃; for 36h;100%
Conditions
ConditionsYield
With poly(diselanediyl-1,2-phenylene); dihydrogen peroxide In tetrahydrofuran for 42h; Heating;100%
With [hydroxy(tosyloxy)iodo]benzene; water In dimethyl sulfoxide at 20℃; for 24h;82%
586-76-5

4-Bromobenzoic acid

544-97-8

dimethyl zinc(II)

99-94-5

p-Toluic acid

Conditions
ConditionsYield
(1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride In 1,4-dioxane for 2h; Heating;100%

N,4-dimethyl-N-tosylbenzamide

99-94-5

p-Toluic acid

Conditions
ConditionsYield
With sodium hydroxide In water at 85℃; for 12h;100%
106-42-3

para-xylene

99-94-5

p-Toluic acid

Conditions
ConditionsYield
With tert.-butylhydroperoxide; water at 20℃; for 10h; Inert atmosphere;99%
With N-hydroxy-tetrahydrophthalimide; oxygen; nitric acid at 50℃; under 750.075 - 1500.15 Torr; for 25h; Autoclave; Green chemistry;91.16%
With MoO(O2)(8-quinolinolate)2; dihydrogen peroxide In acetonitrile for 6h; Oxidation; Heating;88%
122-00-9

para-methylacetophenone

99-94-5

p-Toluic acid

Conditions
ConditionsYield
With oxygen; copper(II) nitrate In acetonitrile at 120℃; under 4500.45 Torr; for 10h;99%
With copper(II) nitrate trihydrate; oxygen In acetonitrile at 120℃; under 4500.45 Torr; for 10h; Autoclave;97%
With sodium hydroxide; sodium bromite; sodium bromide In water for 6h; Ambient temperature;96%
619-66-9

4-Carboxybenzaldehyde

99-94-5

p-Toluic acid

Conditions
ConditionsYield
With hydrogen In ethanol at 100℃; under 2250.23 Torr; for 3h; Catalytic behavior; Inert atmosphere;99%
With W-7 Raney-Nickel In ethanol for 5h; Heating;89%
4702-76-5, 139030-29-8

4,4'-dimethylbenzaldazine

99-94-5

p-Toluic acid

Conditions
ConditionsYield
With poly(diselanediyl-1,2-phenylene); dihydrogen peroxide In tetrahydrofuran for 60h; Heating;99%
With [bis(acetoxy)iodo]benzene In tetrahydrofuran at 20℃; for 4h; Green chemistry;72%
124-38-9

carbon dioxide

380481-66-3

5,5-dimethyl-2-(4-methylphenyl)-1,3,2-dioxaborinane

99-94-5

p-Toluic acid

Conditions
ConditionsYield
Stage #1: carbon dioxide; 5,5-dimethyl-2-(4-methylphenyl)-1,3,2-dioxaborinane With [Ni(N,N'-bis[2,6-bis(diphenylmethyl)-4-methylphenyl]imidazole-2-ylidene)(allyl)Cl]; potassium tert-butylate In toluene at 100℃; under 760.051 Torr; for 15h; Schlenk technique; Inert atmosphere;
Stage #2: With hydrogenchloride In water; ethyl acetate; toluene at 20℃;
99%
Stage #1: carbon dioxide; 5,5-dimethyl-2-(4-methylphenyl)-1,3,2-dioxaborinane With potassium tert-butylate; silver(I) acetate; triphenylphosphine In tetrahydrofuran at 70℃; under 15201 Torr; for 16h; Inert atmosphere; Autoclave;
Stage #2: With hydrogenchloride In tetrahydrofuran; water Inert atmosphere;
83%
99-94-5

p-Toluic acid

Conditions
ConditionsYield
With oxygen; sodium methylate; silver trifluoromethanesulfonate In tetrahydrofuran; methanol at 37℃; under 760.051 Torr; for 12h; Sealed tube;99%
Stage #1: 1,2-di-p-tolylethane-1,2-diol With 2,3,4,5,6-pentamethyliodobenzene; oxygen; isobutyraldehyde In 1,2-dichloro-ethane under 760.051 Torr; for 24h;
Stage #2: With sodium chlorite; 2-methyl-but-2-ene In aq. phosphate buffer; 1,2-dichloro-ethane; tert-butyl alcohol at 25℃; for 14h;
80%
With oxygen In dichloromethane at 20℃; under 760.051 Torr; for 12h; Irradiation;78%
Stage #1: 1,2-di-p-tolylethane-1,2-diol With oxygen; sodium t-butanolate In tetrahydrofuran at 20℃; under 760.051 Torr; for 5h;
Stage #2: With hydrogenchloride In tetrahydrofuran; water pH=1; chemoselective reaction;
60%
106-42-3

para-xylene

A

100-21-0

terephthalic acid

B

104-87-0

4-methyl-benzaldehyde

C

619-66-9

4-Carboxybenzaldehyde

D

99-94-5

p-Toluic acid

Conditions
ConditionsYield
With hydrogen bromide; oxygen; acetic acid; cobalt(II) acetate; manganese(II) acetate In water at 190℃; under 16501.7 Torr; for 1h; Product distribution / selectivity;A 98.1%
B 0.2%
C 0.4%
D 0.4%
With oxygen; acetic acid; palladium diacetate; antimony(III) acetate In water at 182 - 195℃; under 16501.7 - 20929.4 Torr; for 1 - 1.5h; Product distribution / selectivity;A 50.3%
B 7.2%
C 6.4%
D 6.2%
With hydrogen bromide; oxygen; acetic acid; zirconium oxyacetate; cobalt(II) acetate In water at 190℃; under 16501.7 Torr; for 1h; Product distribution / selectivity;A 4.9%
B 3%
C 1.9%
D 36.9%
64-18-6

formic acid

624-31-7

4-tolyl iodide

99-94-5

p-Toluic acid

Conditions
ConditionsYield
With palladium diacetate; triethylamine; dicyclohexyl-carbodiimide; 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene In N,N-dimethyl-formamide at 80℃; for 10h; Inert atmosphere; Sealed tube;98%
With palladium diacetate; triethylamine; dicyclohexyl-carbodiimide; 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene In N,N-dimethyl-formamide at 100℃; for 20h; Inert atmosphere; Sealed tube;82%
99-75-2

4-methyl-benzoic acid methyl ester

99-94-5

p-Toluic acid

Conditions
ConditionsYield
With iron(III) sulfate; water In toluene at 110℃; for 1.5h; Ionic liquid;97%
With iodine; aluminium In acetonitrile at 80℃; for 18h;96%
With potassium hydroxide In methanol at 35℃; for 0.5h;90%
201230-82-2

carbon monoxide

106-38-7

para-bromotoluene

99-94-5

p-Toluic acid

Conditions
ConditionsYield
With tetrabutylammomium bromide; dicobalt octacarbonyl In sodium hydroxide; benzene at 65℃; for 1h; Irradiation;97%
With sodium hydroxide; tetrabutylammomium bromide; dicobalt octacarbonyl In water; benzene at 65℃; under 760 Torr; for 1.5h; Irradiation;97%
With palladium diacetate; caesium carbonate; 1,2-bis[di(t-butyl)phosphinomethyl]benzene In water; N,N-dimethyl-formamide at 80℃; under 2068.65 Torr; Inert atmosphere;77%

4-Methyl-benzoic acid (E)-3-phenyl-allyl ester

99-94-5

p-Toluic acid

Conditions
ConditionsYield
With Montmorillonite K-10 clay; methoxybenzene for 0.333333h; Dealkylation; Microwave irradiation;97%
With methoxybenzene In toluene for 15h; Heating;10%
1218-89-9

4,4'-dimethylbenzoin

99-94-5

p-Toluic acid

Conditions
ConditionsYield
With dihydrogen peroxide; methyltrioxorhenium(VII); magnesium sulfate In acetonitrile for 3h; Heating;97%
With sodium hypochlorite In acetonitrile at 20℃; for 5h;85%
With diphenyl diselenide; dihydrogen peroxide In water; acetonitrile at 20℃; for 24h;85%
With graphitic carbon nitride; oxygen; acetic acid In water; acetonitrile at 100℃; under 2250.23 Torr; for 16h; Autoclave; Irradiation; Green chemistry;69 %Chromat.
57297-25-3

1-(4-methoxyphenyl)-2-(4-methylphenyl)ethanone

A

99-94-5

p-Toluic acid

B

100-09-4

4-methoxybenzoic acid

Conditions
ConditionsYield
With oxygen; potassium hydroxide at 20℃; Schlenk technique; chemoselective reaction;A 93%
B 97%
2430-99-1

1-phenyl-2-p-tolylethanone

A

99-94-5

p-Toluic acid

B

65-85-0

benzoic acid

Conditions
ConditionsYield
With 5% active carbon-supported ruthenium; water; oxygen; calcium oxide at 100℃; for 24h; Overall yield = 56.7 mg;A 80%
B 97%

C8H12O4

99-94-5

p-Toluic acid

Conditions
ConditionsYield
With hydrogenchloride In water at 95℃; for 7h; Reagent/catalyst;97%
106-42-3

para-xylene

A

100-21-0

terephthalic acid

B

99-94-5

p-Toluic acid

Conditions
ConditionsYield
With N-hydroxyphthalimide; oxygen; nitric acid at 110℃; under 760.051 Torr; for 6h; Ionic liquid;A 96%
B 3%
Stage #1: para-xylene With N-hydroxyphthalimide; cobalt(II) phthalocyanine; μ-oxo[manganese(III) tetraphenylporphine]2; oxygen at 120℃; under 3750.38 Torr;
Stage #2: With N-hydroxyphthalimide; cobalt(II) phthalocyanine; μ-oxo[manganese(III) tetraphenylporphine]2; oxygen; acetic acid at 232℃; under 16501.7 Torr; for 1.5h; Temperature; Pressure; Reagent/catalyst;
A 90%
B 9.7%
With chromium(VI) oxide; periodic acid In acetonitrile at 20℃; for 1h;A 6%
B 86%
104-82-5

4-Methylbenzyl chloride

99-94-5

p-Toluic acid

Conditions
ConditionsYield
With sodium hydroxide In water; tert-butyl alcohol at 70℃; Ni-anode, 16 mA/cm2;96%
With 4 Angstroem MS; methyl tri-n-octyl ammonium hydrogen sulfate; sodium tungstate at 90℃; for 18h;68%
40739-81-9

p-tolualdehyde p-toluenesulfonylhydrazone

99-94-5

p-Toluic acid

Conditions
ConditionsYield
With poly(diselanediyl-1,2-phenylene); dihydrogen peroxide In tetrahydrofuran for 18h; Heating;96%
13756-42-8

tert-butyl 4-methylbenzoate

99-94-5

p-Toluic acid

Conditions
ConditionsYield
With aluminium(III) iodide In acetonitrile at 80℃; for 18h;96%
With 1,1,3,3-Tetramethyldisiloxane; pyrographite; palladium dichloride In 1,2-dimethoxyethane at 25 - 40℃; for 6h;95%
With toluene-4-sulfonic acid for 0.0666667h; microwave irradiation;93%
With (μ3,η2,η3,η5-acenaphthylene)Ru3(CO)7; Dimethylphenylsilane In 1,2-dimethoxyethane at 40℃; for 7h; Inert atmosphere;93%
With high-silica Hβ-75 zeolite In water at 130℃; for 24h; Reagent/catalyst;88%
83392-35-2

methyl 3-(4-methylphenyl)-3-oxopropanedithioate

99-94-5

p-Toluic acid

Conditions
ConditionsYield
With sodium hydroxide In water at 100℃; for 10h; Reflux; chemoselective reaction;96%
25563-06-8

N-methoxy-4-methylbenzamide

99-94-5

p-Toluic acid

Conditions
ConditionsYield
With tert.-butylnitrite; water at 29℃; for 0.583333h;96%
67-56-1

methanol

99-94-5

p-Toluic acid

99-75-2

4-methyl-benzoic acid methyl ester

Conditions
ConditionsYield
With boron trifluoride at 65℃; for 0.333333h;100%
With sulfuric acid for 4h; Reflux;100%
With sulfuric acid Fischer-Speier esterification method; Reflux;100%
99-94-5

p-Toluic acid

6232-88-8

4-bromomethylbenzoic Acid

Conditions
ConditionsYield
With N-Bromosuccinimide; dibenzoyl peroxide In tetrachloromethane for 6h; Reflux;100%
With sodium bromate; sodium hydrogensulfite In water; ethyl acetate90%
With dihydrogen peroxide; bromine In dichloromethane; water for 4h; Reflux;87%
99-94-5

p-Toluic acid

62454-72-2

4-methyl-3-sulfobenzoic acid

Conditions
ConditionsYield
With chlorosulfonic acid at 90℃; for 4h;100%
With sulfuric acid at 160 - 170℃; for 4h;71%
With sulfuric acid at 150 - 160℃;
With sulfuric acid at 150℃;
With sulfur trioxide
99-94-5

p-Toluic acid

874-60-2

4-methyl-benzoyl chloride

Conditions
ConditionsYield
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%
Stage #1: p-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%
99-94-5

p-Toluic acid

88-05-1

2,4,6-trimethylaniline

86489-65-8

N-(2,4,6-trimethylphenyl)-4-methylbenzamide

Conditions
ConditionsYield
With diphosphorus tetraiodide In tetrachloromethane; dichloromethane Heating;100%
75685-01-7

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

99-94-5

p-Toluic acid

6,6'-bis(4-methylbenzoyl)-2,2'-dimethoxy-1,1'-binaphthyl

Conditions
ConditionsYield
With methanesulfonic acid; phosphorus pentoxide at 60℃; for 24h; Friedel-Crafts acylation;100%
99-94-5

p-Toluic acid

847495-03-8

(2S)-2-[(1,1-dimethylethoxycarbonyl)amino]-3-[(4-methylbenzoyl)amino]propionic acid benzyl ester

Conditions
ConditionsYield
Stage #1: 3-amino-(2S)-[(1,1-dimethylethoxycarbonyl)amino]-propionic acid benzyl ester With O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate In DMF (N,N-dimethyl-formamide) at 20℃; for 0.166667h;
Stage #2: p-Toluic acid With 4-methyl-morpholine In DMF (N,N-dimethyl-formamide) at 0 - 20℃; for 3h;
100%
Stage #1: 3-amino-(2S)-[(1,1-dimethylethoxycarbonyl)amino]-propionic acid benzyl ester With N,N,N',N'-tetramethyl-O-(benzotriazol-1-yl)uronium tetrafluoroborate In N,N-dimethyl-formamide at 20℃; for 0.166667h;
Stage #2: p-Toluic acid With 4-methyl-morpholine In N,N-dimethyl-formamide at 0 - 20℃; for 3h;
100%
99-94-5

p-Toluic acid

74-88-4

methyl iodide

99-75-2

4-methyl-benzoic acid methyl ester

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 20℃; Inert atmosphere;100%
With potassium carbonate In N,N-dimethyl-formamide at 50℃; for 5h;
With N'',N'''''-1,8-naphthalenediyl bis[N,N,N',N'-tetramethyl]guanidine In N,N-dimethyl-formamide at 20℃; Kinetics;
With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 10h; Inert atmosphere; Sealed tube;
111-70-6

n-heptan1ol

99-94-5

p-Toluic acid

1-heptyl 4-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 25 wtpercent H3PO4/ZrO2-TiO2 at 130℃; for 1.75h; Neat (no solvent); chemoselective reaction;80%
31252-42-3

4-benzylpyperidine

99-94-5

p-Toluic acid

(4-benzylpiperidin-1-yl)(p-tolyl)methanone

Conditions
ConditionsYield
Stage #1: p-Toluic acid With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate at 20℃; for 0.166667h;
Stage #2: 4-benzylpyperidine at 20℃; for 1h;
100%
75-59-2

tetramethyl ammoniumhydroxide

99-94-5

p-Toluic acid

tetramethyl-ammonium; 4-methyl-benzoate

Conditions
ConditionsYield
With water In ethanol at 0 - 20℃; for 0.0833333h;100%
99-94-5

p-Toluic acid

100-21-0

terephthalic acid

Conditions
ConditionsYield
With ammonium acetate; water; hydrogen bromide; oxygen; manganese(II) acetate; cobalt(II) diacetate tetrahydrate; 1-n-butyl-3-methylimidazolim bromide; acetic acid; 3-butyl-1-methylimidazolium acetate at 215℃; under 30753.1 Torr; for 3h; Inert atmosphere;99.1%
With ammonium acetate; water; hydrogen bromide; oxygen; manganese(II) acetate; cobalt(II) diacetate tetrahydrate; 1-n-butyl-3-methylimidazolim bromide; acetic acid; 3-butyl-1-methylimidazolium acetate at 215℃; under 30753.1 Torr; for 3h; Inert atmosphere;99.1%
With oxovanadium(IV) sulfate; hydrogen bromide; oxygen; acetic acid In water at 100℃; under 750.075 Torr; for 20h;97%
99-94-5

p-Toluic acid

100-46-9

benzylamine

5436-83-9

N-benzyl-4-methylbenzamide

Conditions
ConditionsYield
With borane-ammonia complex In 5,5-dimethyl-1,3-cyclohexadiene for 6h; Reflux;99%
With Bromotrichloromethane; 4-(diphenylphosphino)-benzyltrimethylammonium bromide; triethylamine In tetrahydrofuran at 60℃; for 6h; Inert atmosphere;98%
Stage #1: p-Toluic acid With N-chlorobenzotriazole; triphenylphosphine In dichloromethane for 0.25h;
Stage #2: benzylamine With triethylamine In dichloromethane at 20℃; for 0.75h;
95%
106-44-5

p-cresol

99-94-5

p-Toluic acid

15024-08-5

4-methylphenyl 4-methylbenzoate

Conditions
ConditionsYield
With triphenylphosphine In tetrahydrofuran at 65℃; for 16h; Product distribution; Further Variations:; Solvents; Mitsunobu reaction;99%
With trifluoromethylsulfonic anhydride; triethylamine; Triphenylphosphine oxide In 1,2-dichloro-ethane at 25℃; for 0.25h;88%
99-94-5

p-Toluic acid

62-53-3

aniline

6833-18-7

4-methyl-N-phenylbenzamide

Conditions
ConditionsYield
With fluorosulfonyl fluoride; N-ethyl-N,N-diisopropylamine In acetonitrile at 20℃; for 5h;99%
Stage #1: p-Toluic acid With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate at 20℃; for 0.166667h;
Stage #2: aniline at 20℃; for 1h;
97%
With (3-{[(cyclohexylimino)methylidene]amino}propyl)oxy linked polystyrene resin In dichloromethane; N,N-dimethyl-formamide for 0.0833333h; Flow reactor;96%
99-94-5

p-Toluic acid

40662-66-6

<α,α-2H2>-4-methylbenzyl alcohol

Conditions
ConditionsYield
With lithium aluminium deuteride In tetrahydrofuran for 24h; Heating;99%
With lithium aluminium deuteride In diethyl ether at 20℃; for 3h;90%
99-94-5

p-Toluic acid

3619-22-5

p-toluic hydrazide

Conditions
ConditionsYield
Stage #1: p-Toluic acid With sulfuric acid In ethanol for 6h; Reflux;
Stage #2: With hydrazine hydrate; sodium hydrogencarbonate; acetic acid Reflux;
99%
With acetic acid; acetic acid hydrazide for 0.1h; Microwave irradiation;85%
With hydrazine hydrate for 0.0472222h; Microwave irradiation;85%
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    99-94-5

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    99-94-5

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    99-94-5

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    99-94-5

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    99-94-5

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    English Name: p-Toluic acid CAS: 99-94-5 Molecular formula: C8H8O2 Molecular weight: 1

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    99-94-5

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    99-94-5

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    99-94-5

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    99-94-5

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  • Factory supply p-Toluic acid CAS 99-94-5 with good price

  • Casno:

    99-94-5

    Factory supply p-Toluic acid CAS 99-94-5 with good price

    Min.Order: 3 Kilogram

    FOB Price:  USD $ 1800.0-5000.0/Kilogram

    Quick Details CAS No.: 99-94-5 Other Names: 4-Methylbenzoic acid MF: C8H8O2 EINECS No.: 202-803-3 Place of Origin: Hebei, China Type: Syntheses Material Intermediates Purity: 99%+ Brand Name: Lonwinchem Model Number: 99-94-5 Applic

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  • Casno:

    99-94-5

    p-Toluic acid

    Min.Order: 0

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  • p-Toluic acid

  • Casno:

    99-94-5

    p-Toluic acid

    Min.Order: 0

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  • High Quality p-Toluic acid

  • Casno:

    99-94-5

    High Quality p-Toluic acid

    Min.Order: 1 Gram

    FOB Price:  USD $ 1.0-1.0/Gram

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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The p-Toluic acid, with the CAS registry number 99-94-5. It belongs to the product categories of 4-Methylbenzoic acid; p-Toluylic acid; Crithminic acid; Toluenecarboxylic acid.Its EINECS number is  202-803-3. This chemical's molecular formula is C8H8O2 and molecular weight is 136.15. What's more,Its systematic name is p-Toluic acid.It is colourless crystals or white crystalline powder,insoluble in water.It is harmful if swallowed .When you use it ,do not breathe dust and avoid contact with skin and eyes.When the p-Toluic acid fine dust dispensed in air in sufficient concentrations, and in the presence of an ignition source is a potential dust explosion hazard.

Physical properties about p-Toluic acid are:
(1)ACD/LogP:  1.996; (2)# of Rule of 5 Violations:  0; (3)ACD/LogD (pH 5.5):  0.84; (4)ACD/LogD (pH 7.4):  -0.79; (5)ACD/BCF (pH 5.5):  1.36; (6)ACD/BCF (pH 7.4):  1.00; (7)ACD/KOC (pH 5.5):  20.32; (8)ACD/KOC (pH 7.4):  1.00; (9)#H bond acceptors:  2; (10)#H bond donors:  1; (11)#Freely Rotating Bonds:  1; (12)Index of Refraction:  1.556; (13)Molar Refractivity:  38.008 cm3; (14)Molar Volume:  118.238 cm3; (15)Surface Tension:  45.4770011901855 dyne/cm; (16)Density:  1.151 g/cm3; (17)Flash Point:  124.7 °C; (18)Enthalpy of Vaporization:  54.273 kJ/mol; (19)Boiling Point:  275.349 °C at 760 mmHg; (20)Vapour Pressure:  0.0020000000949949 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:Cc1ccc(cc1)C(=O)O;
(2)Std. InChI:InChI=1S/C8H8O2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H,9,10);
(3)Std. InChIKey:LPNBBFKOUUSUDB-UHFFFAOYSA-N.

The toxicity data of p-Toluic acid as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 916mg/kg (916mg/kg) CARDIAC: EKG CHANGES NOT DIAGNOSTIC OF ABOVE

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)
Kiso to Rinsho. Clinical Report. Vol. 12, Pg. 1893, 1978.
mouse LD50 oral 2340mg/kg (2340mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

CARDIAC: EKG CHANGES NOT DIAGNOSTIC OF ABOVE
Kiso to Rinsho. Clinical Report. Vol. 12, Pg. 1893, 1978.
rat LD50 intraperitoneal 874mg/kg (874mg/kg) CARDIAC: EKG CHANGES NOT DIAGNOSTIC OF ABOVE

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)
Kiso to Rinsho. Clinical Report. Vol. 12, Pg. 1893, 1978.