p-Toluic acid supplier | CasNO.99-94-5

Name
p-Toluic acid
EINECS 202-803-3
CAS No. 99-94-5
Article Data1172
CAS DataBase
Density 1.151 g/cm³
Solubility water: <0.1 g/100 mL at 19 °C
Melting Point 179 °C
Formula C₈H₈O₂
Boiling Point 275.3 °C at 760 mmHg
Molecular Weight 136.15
Flash Point 124.7 °C
Transport Information
Appearance colourless crystals or white crystalline powder
Safety 22-24/25
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
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;
PSA 37.30000
LogP 1.69320

Synthetic route

: 589-18-4
4-Methylbenzyl alcohol

: 99-94-5
p-Toluic acid

Conditions

Conditions	Yield
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 acetonitrile	98%

: 104-87-0
4-methyl-benzaldehyde

: 99-94-5
p-Toluic acid

Conditions

Conditions	Yield
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

Conditions	Yield
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%

...Expand

: 201230-82-2
carbon monoxide

: 624-31-7
4-tolyl iodide

: 99-94-5
p-Toluic acid

Conditions

Conditions	Yield
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

Conditions	Yield
With tetrabutyl ammonium fluoride In tetrahydrofuran Product distribution;	100%

: 74260-32-5
p-methylbenzyltri-n-butyl-stannane

: 99-94-5
p-Toluic acid

Conditions

Conditions	Yield
With C2H2Cl2F3O2V; oxygen In tert-butyl alcohol at 50℃; for 36h;	100%

: 3235-02-7, 3717-15-5, 3717-16-6, 140461-26-3, 140461-27-4
p-methylbenzaldehyde oxime

: 99-94-5
p-Toluic acid

Conditions

Conditions	Yield
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

Conditions	Yield
(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

Conditions	Yield
With sodium hydroxide In water at 85℃; for 12h;	100%

: 106-42-3
para-xylene

: 99-94-5
p-Toluic acid

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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%

: 5173-28-4, 5173-29-5, 24133-59-3, 66749-58-4, 66768-19-2
1,2-di-p-tolylethane-1,2-diol

: 99-94-5
p-Toluic acid

Conditions

Conditions	Yield
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

Conditions	Yield
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%

...Expand

: 64-18-6
formic acid

: 624-31-7
4-tolyl iodide

: 99-94-5
p-Toluic acid

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
With N-Bromosuccinimide; dibenzoyl peroxide In tetrachloromethane for 6h; Reflux;	100%
With sodium bromate; sodium hydrogensulfite In water; ethyl acetate	90%
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
With water In ethanol at 0 - 20℃; for 0.0833333h;	100%

: 99-94-5
p-Toluic acid

: 100-21-0
terephthalic acid

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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%

p-Toluic acid Consensus Reports

Reported in EPA TSCA Inventory.

p-Toluic acid 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.

Product Name

p-Toluic acid

Synthetic route

p-Toluic acid Consensus Reports

p-Toluic acid Specification

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