2,4,6-Trimethylbenzoic acid supplier

Name
2,4,6-Trimethylbenzoic acid
EINECS 207-553-9
CAS No. 480-63-7
Article Data165
CAS DataBase
Density 1.088 g/cm³
Solubility soluble in ethanol and chloroform
Melting Point 152-155 °C(lit.)
Formula C₁₀H₁₂O₂
Boiling Point 296.6 °C at 760 mmHg
Molecular Weight 164.204
Flash Point 138 °C
Transport Information
Appearance white to almost white crystalline powder
Safety 22-24/25-36
Risk Codes 20/21/22
Molecular Structure
Hazard Symbols Xn
Synonyms Mesitylenecarboxylic acid;4-09-00-01854 (Beilstein Handbook Reference);BRN 1866187;Mesitoic acid;NSC 1119;
PSA 37.30000
LogP 2.31000

Synthetic route

: 124-38-9
carbon dioxide

: 108-67-8
1,3,5-trimethyl-benzene

: 480-63-7
mesitylenecarboxylic acid

Conditions

Conditions	Yield
With Et3SiB(C6F5)4 at 20℃; under 22502.3 Torr; for 18h; Reagent/catalyst;	100%
With aluminum tri-bromide; Triphenylsilyl chloride at 20℃; under 22502.3 Torr; for 3h; Autoclave;	97%
With aluminum (III) chloride at 30℃; under 15001.5 Torr; for 5h; Pressure; Temperature;	95.2%

: 124-38-9
carbon dioxide

: 2633-66-1
2-mesitylmagnesium bromide

: 480-63-7
mesitylenecarboxylic acid

Conditions

Conditions	Yield
Stage #1: carbon dioxide; 2-mesitylmagnesium bromide In tetrahydrofuran at 20℃; under 3000.3 Torr; gas-liquid flow reactor assembly; Stage #2: With polymer-supported sulfonic acid In tetrahydrofuran	100%
In tetrahydrofuran at 1℃; for 0.0833333h;	74%

: 5745-51-7
2,4,6-trimethyl-benzoic acid-anhydride

A: 4170-90-5
2,4,6-trimethylbenzyl alcohol

B: 480-63-7
mesitylenecarboxylic acid

Conditions

Conditions	Yield
With Li(1+)*C12H28AlO3(1-) In tetrahydrofuran; hexane at -78℃; for 1h;	A 99% B 98%

: 487-68-3
mesytaldehyde

: 480-63-7
mesitylenecarboxylic acid

Conditions

Conditions	Yield
With C4H11FeMo6NO24(3-)*3C16H36N(1+); water; oxygen; sodium carbonate at 50℃; under 760.051 Torr; for 8h; Green chemistry;	99%
With 4H3N4H(1+)CuMo6O18(OH)6(4-); water; oxygen; sodium carbonate at 50℃; under 760.051 Torr; for 12h;	99%
With tris[2-(4,6-difluorophenyl)pyridinato-C2,N]-iridium(III); oxygen In acetonitrile at 20℃; Irradiation; Sealed tube; Green chemistry; chemoselective reaction;	90%

: 4170-90-5
2,4,6-trimethylbenzyl alcohol

: 480-63-7
mesitylenecarboxylic acid

Conditions

Conditions	Yield
With dihydrogen peroxide In water; toluene at 20 - 85℃; for 4h;	98%
With diethylene glycol dimethyl ether at 70℃; for 0.5h; Sonication;	93%
With potassium phosphate; carbon dioxide; CrH6Mo6O24(3-)3H3N3H(1+) In dimethyl sulfoxide at 80℃; under 750.075 Torr; for 24h; Green chemistry;	84%

: 124-38-9
carbon dioxide

: 214360-78-8
2,4,6-trimethylbenzeneboronic acid neopentyl glycol cyclic ester

: 480-63-7
mesitylenecarboxylic acid

Conditions

Conditions	Yield
With potassium tert-butylate; copper(l) chloride; 1,3-bis[2,6-diisopropylphenyl]imidazolium chloride In tetrahydrofuran at 70℃; under 760.051 Torr; for 24h;	98%

: 2282-84-0
methyl 2,4,6-trimethylbenzoate

: 480-63-7
mesitylenecarboxylic acid

Conditions

Conditions	Yield
With tetra(n-butyl)ammonium hydroxide In tetrahydrofuran; water at 70℃; for 1h;	97%
With potassium hydroxide; Aliquat 336 at 200℃; for 0.0833333h; microwave irradiation;	95%
With Me2AlTeMe In toluene at 23℃; for 6h;	91%

: 99921-94-5
n-octyl mesitoate

: 480-63-7
mesitylenecarboxylic acid

Conditions

Conditions	Yield
With sodium hydroxide; Aliquat 336 at 200℃; for 0.0833333h; microwave irradiation;	97%

: 76-02-8
Trichloroacetyl chloride

: 108-67-8
1,3,5-trimethyl-benzene

: 480-63-7
mesitylenecarboxylic acid

Conditions

Conditions	Yield
Stage #1: trifluoroacetyl chloride; 1,3,5-trimethyl-benzene With aluminum (III) chloride at 0 - 10℃; for 2h; Inert atmosphere; Stage #2: With hydrogenchloride In water Temperature;	95%

: C26H30O2Si

: 480-63-7
mesitylenecarboxylic acid

Conditions

Conditions	Yield
With water; N,N-dimethyl-formamide at 70℃; for 3h; Green chemistry; chemoselective reaction;	94%
With N,N,N',N'-tetramethylguanidine In acetonitrile at 50℃; for 1h;	92%

: 64-18-6
formic acid

: 108-67-8
1,3,5-trimethyl-benzene

: 480-63-7
mesitylenecarboxylic acid

Conditions

Conditions	Yield
With dipotassium peroxodisulfate; (4-CH3O-C6H4-N-CH2)2PO3SCF3; palladium(II) trifluoroacetate In trifluoroacetic acid at 30℃; for 48h;	93%

: C19H32O2Si

: 480-63-7
mesitylenecarboxylic acid

Conditions

Conditions	Yield
With water; N,N-dimethyl-formamide at 70℃; for 3h; Green chemistry; chemoselective reaction;	93%

: 2,4,6-trimethyl-benzoic acid 2-trimethylsilanyl-ethyl ester

: 480-63-7
mesitylenecarboxylic acid

Conditions

Conditions	Yield
With sodium hydride In N,N-dimethyl-formamide at 20℃;	92%

: 2282-84-0
methyl 2,4,6-trimethylbenzoate

: 1666-13-3
diphenyl diselenide

A: 480-63-7
mesitylenecarboxylic acid

B: 4346-64-9
selenoanisole

Conditions

Conditions	Yield
Stage #1: diphenyl diselenide With aluminum (III) chloride; zinc In acetonitrile at 70℃; under 760.051 Torr; for 1.25h; Neutral; Stage #2: methyl 2,4,6-trimethylbenzoate In acetonitrile at 70℃; under 760.051 Torr; for 6h; Neutral;	A 92% B n/a

...Expand

: 2000-88-6
allyl 2,4,6-trimethylbenzoate

: 480-63-7
mesitylenecarboxylic acid

Conditions

Conditions	Yield
With Me2AlTeMe In toluene at 23℃; for 12h;	89%
With dichloro bis(acetonitrile) palladium(II); cyclopentadienylruthenium(II) trisacetonitrile hexafluorophosphate; diethylene glycol dimethyl ether; 1,6-bis(diphenylphosphino)hexane; water In 1,2-dimethoxyethane; dichloromethane at 20 - 85℃; for 1.33333h; Inert atmosphere;	26 %Chromat.

: 4028-63-1
iodomesitylene

: 124-38-9
carbon dioxide

: 480-63-7
mesitylenecarboxylic acid

Conditions

Conditions	Yield
With C26H30B10Cl2P2Pd In toluene at 80℃; under 760.051 Torr; for 8h;	89%
With copper(l) iodide; diethylzinc; N,N`-dimethylethylenediamine In dimethyl sulfoxide at 25℃; under 760.051 Torr;	61%

: 124-38-9
carbon dioxide

: 108-67-8
1,3,5-trimethyl-benzene

A: 480-63-7
mesitylenecarboxylic acid

B: 5623-45-0
dimesityl ketone

Conditions

Conditions	Yield
With chloro-trimethyl-silane; aluminum tri-bromide at 20℃; under 22501.8 Torr; for 3h;	A 87% B 6%
With chloro-trimethyl-silane; aluminum tri-bromide at 20℃; under 22502.3 Torr; for 3h; Autoclave;	A 87% B 6%
With Et3SiB(C6F5)4 at 20℃; under 22502.3 Torr; for 18h; Reagent/catalyst; Friedel-Crafts Acylation;	A 86% B 14%
With aluminum tri-bromide under 44130.5 Torr;

...Expand

: 4909-77-7
benzyl 2,4,6-trimethylbenzoate

: 480-63-7
mesitylenecarboxylic acid

Conditions

Conditions	Yield
With Me2AlTeMe In toluene at 23℃; for 14h;	87%
With methanol; sodium tetrahydroborate; nickel(II) chloride hexahydrate at 20℃; for 0.25h; chemoselective reaction;	85%

: 6482-39-9
sodium methyl carbonate

: 2633-66-1
2-mesitylmagnesium bromide

: 480-63-7
mesitylenecarboxylic acid

Conditions

Conditions	Yield
In diethyl ether at 20℃; for 24h; Inert atmosphere;	85%

: 124-38-9
carbon dioxide

: 6148-75-0
2,4,6-trimethylbenzenesulfonate sodium salt

: 480-63-7
mesitylenecarboxylic acid

Conditions

Conditions	Yield
Stage #1: carbon dioxide; 2,4,6-trimethylbenzenesulfonate sodium salt With copper(l) iodide; potassium tert-butylate; o-phenanthroline In dimethyl sulfoxide at 140℃; under 760.051 Torr; for 12h; Schlenk technique; Stage #2: With hydrogenchloride In water; dimethyl sulfoxide Schlenk technique;	82%

: 124-38-9
carbon dioxide

: 50827-54-8
sodium 2,4,6-trimethylbenzenesulfinic acid

: 480-63-7
mesitylenecarboxylic acid

Conditions

Conditions	Yield
With copper(l) iodide; 1,10-Phenanthroline; potassium tert-butylate In dimethyl sulfoxide at 140℃; under 750.075 Torr; for 3h; Schlenk technique; Sealed tube;	82%

: 1-mesityl-5-phenyl-6,7,8-trioxabicyclo<3.2.1>octane

A: 39755-03-8
4-hydroxy-1-phenyl-butan-1-one

B: 480-63-7
mesitylenecarboxylic acid

C: 495-40-9
butyrophenone

D: 529-34-0
3,4-dihydronaphthalene-1(2H)-one

Conditions

Conditions	Yield
With iron(II) sulfate In tetrahydrofuran; water at 20℃; for 16h;	A 9% B 81% C 26% D 13%

...Expand

: 1,2,3,4-tetrahydro-1-naphthyl ester of 2,4,6-trimethylbenzoic acid

: 480-63-7
mesitylenecarboxylic acid

Conditions

Conditions	Yield
With chloro-trimethyl-silane; sodium iodide In acetonitrile at 20℃; for 1h; Substitution;	80%

: 1667-01-2
2,4,6-Trimethylacetophenone

: 480-63-7
mesitylenecarboxylic acid

Conditions

Conditions	Yield
With oxygen; manganese (II) acetate tetrahydrate; cobalt(II) diacetate tetrahydrate In acetic acid at 100℃; under 760.051 Torr; for 15h;	78%
With permanganate(VII) ion anschl. Behandeln mit Schwefelsaeure;
Multi-step reaction with 2 steps 1: KMnO4; alkali 2: bei der Destillation View Scheme

: 124-38-9
carbon dioxide

: 125261-32-7
2,4,6-trimethylphenyl trifluoromethanesulfonate

: 480-63-7
mesitylenecarboxylic acid

Conditions

Conditions	Yield
Stage #1: carbon dioxide; 2,4,6-trimethylphenyl trifluoromethanesulfonate With manganese; [Co(2,9-dimethyl-1,10-phenanthroline)I2] In N,N-dimethyl acetamide at 40℃; under 760.051 Torr; for 20h; Schlenk technique; Stage #2: With hydrogenchloride In diethyl ether; water at 20℃; for 0.166667h; Temperature; Reagent/catalyst; Schlenk technique;	77%
With (4,4'-di-tert-butyl-2,2'-dipyridyl)-bis-(2-phenylpyridine(-1H))-iridium(III) hexafluorophosphate; palladium diacetate; caesium carbonate; N-ethyl-N,N-diisopropylamine; DavePhos In N,N-dimethyl acetamide at 20℃; for 36h; Irradiation; Green chemistry; chemoselective reaction;	75%
With (2’,4’,6’-triisopropyl-[1,1’-biphenyl]-2-yl)-diphenylphosphine; bis(2-phenylpyridinato)(2,2'-bipyridine)iridium(III) hexafluorophosphate; tetrabutylammomium bromide; palladium diacetate; caesium carbonate; N-ethyl-N,N-diisopropylamine In N,N-dimethyl acetamide at 20℃; under 760.051 Torr; for 4h; Irradiation;

: 78830-35-0
[(3R,4S)-2-(4-Nitro-phenyl)-5-phenyl-4-(2,4,6-trimethyl-benzoyl)-3,4-dihydro-2H-pyrazol-3-yl]-(2,4,6-trimethyl-phenyl)-methanone

A: 480-63-7
mesitylenecarboxylic acid

B: 78830-48-5
[1-(4-Nitro-phenyl)-3-phenyl-1H-pyrazol-4-yl]-(2,4,6-trimethyl-phenyl)-methanone

Conditions

Conditions	Yield
at 200℃; for 0.166667h;	A 65% B 75%

: C18H20O2

A: 480-63-7
mesitylenecarboxylic acid

B: 100-09-4
4-methoxybenzoic acid

Conditions

Conditions	Yield
With oxygen; potassium hydroxide at 20℃; Schlenk technique; chemoselective reaction;	A 62% B 63%

: 78830-39-4
[(3R,4S)-2,5-Di-p-tolyl-4-(2,4,6-trimethyl-benzoyl)-3,4-dihydro-2H-pyrazol-3-yl]-(2,4,6-trimethyl-phenyl)-methanone

A: 480-63-7
mesitylenecarboxylic acid

B: 78830-51-0
(1,3-Di-p-tolyl-1H-pyrazol-4-yl)-(2,4,6-trimethyl-phenyl)-methanone

Conditions

Conditions	Yield
at 200℃; for 0.166667h;	A 30% B 55%

: 49685-65-6
2-(2,4,6-trimethylphenyl)-2-hydroxyacetonitrile

A: 487-68-3
mesytaldehyde

B: 480-63-7
mesitylenecarboxylic acid

Conditions

Conditions	Yield
Stage #1: 2-hydroxy-2-(2,4,6-trimethylphenyl)acetonitrile With (η(6)-benzene)chloro[1,2-bis(diphenylphosphino)ethane]ruthenium(II) chloride In benzene at 120℃; for 24h; Inert atmosphere; Schlenk technique; Stage #2: With water In dichloromethane; ethyl acetate; benzene for 24h;	A 40% B 55%

: 186581-53-3, 908094-01-9
diazomethane

: 480-63-7
mesitylenecarboxylic acid

: 2282-84-0
methyl 2,4,6-trimethylbenzoate

Conditions

Conditions	Yield
In diethyl ether	100%
With diethyl ether

: 67-56-1
methanol

: 480-63-7
mesitylenecarboxylic acid

: 2282-84-0
methyl 2,4,6-trimethylbenzoate

Conditions

Conditions	Yield
With sulfuric acid at 148 - 159℃; under 9375.7 Torr; for 0.0866667h; Irradiation;	100%
With dmap; dicyclohexyl-carbodiimide
With fluorosulphonic acid at -70℃; Yield given;
With sulfuric acid at 20℃; for 48h;
With sulfuric acid at 100℃; for 24h;

: 480-63-7
mesitylenecarboxylic acid

: 75-03-6
ethyl iodide

: 1754-55-8
ethyl 2,4,6-trimethylbenzoate

Conditions

Conditions	Yield
With caesium carbonate In acetonitrile for 2h; Heating;	100%
With cesium fluoride In acetonitrile for 1h; Heating;	99%
With 1,8-diazabicyclo[5.4.0]undec-7-ene In benzene
With potassium carbonate In acetone for 16h; Heating;
With cesium fluoride In N,N-dimethyl-formamide at 10 - 15℃; for 24h;	88 % Chromat.

: 480-63-7
mesitylenecarboxylic acid

: 141484-96-0
methyl 6'-O-butyryl-β-lactoside

: 141485-04-3
methyl 6'-O-butyryl-2,2',3,3',4',6-hexa-O-mesitoyl-β-lactoside

Conditions

Conditions	Yield
With trifluoroacetic anhydride In benzene for 2h; Ambient temperature;	100%

: 480-63-7
mesitylenecarboxylic acid

: 62-53-3
aniline

: 5215-40-7
2,4,6-trimethyl-N-phenylbenzamide

Conditions

Conditions	Yield
With diphosphorus tetraiodide In tetrachloromethane; dichloromethane Heating;	100%
With ethylene dichloride hydrochloride; triethylamine In dichloromethane at 0 - 20℃; for 6h;

: 480-63-7
mesitylenecarboxylic acid

: potassium 2,4,6-trimethylbenzoate

Conditions

Conditions	Yield
With potassium tert-butylate In methanol at 20℃; for 4h;	100%
With potassium tert-butylate In methanol for 4h;	82%

: 75-30-9
2-iodo-propane

: 480-63-7
mesitylenecarboxylic acid

: 41589-61-1
isopropyl 2,4,6-trimethylbenzoate

Conditions

Conditions	Yield
With N(Et)4(1+)*(2-pyrrolidone-anion) In N,N-dimethyl-formamide for 1h; Ambient temperature;	99%
With caesium carbonate In acetonitrile for 2h; Heating;	96%
With potassium carbonate In acetone for 16h; Heating;

: 75-09-2
dichloromethane

: 480-63-7
mesitylenecarboxylic acid

: 56741-13-0
Methylendi-<2,4,6-trimethylbenzoesaeure>-ester

Conditions

Conditions	Yield
With potassium carbonate In dimethyl sulfoxide at 130℃; for 5h;	99%
With sodium hydroxide; tetra(n-butyl)ammonium hydrogensulfate

: 292638-84-7
styrene

: 480-63-7
mesitylenecarboxylic acid

: 17024-58-7
(E)-2,4,6-trimethylstilbene

Conditions

Conditions	Yield
With silver carbonate; palladium(II) trifluoroacetate In dimethyl sulfoxide; N,N-dimethyl-formamide at 120℃; for 1.5h; Heck olefination;	99%

: 480-63-7
mesitylenecarboxylic acid

poly(styrene-co-divinylbenzene)-supported methyl sulfonate, loading rate of SO3Me: ca. 4.0 mmol/g: poly(styrene-co-divinylbenzene)-supported methyl sulfonate, loading rate of SO3Me: ca. 4.0 mmol/g

: 2282-84-0
methyl 2,4,6-trimethylbenzoate

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile for 4h; Heating;	99%

: 480-63-7
mesitylenecarboxylic acid

: 75-24-1
trimethylaluminum

: 884337-83-1
[Me2Al(μ-2,4,6-trimethylbenzoate)]2

Conditions

Conditions	Yield
In hexane byproducts: CH4; in a glovebox, Al-contg. compd. (2.00 mmol) was slowly added to a cooledhexane suspn. (-35.degree C) of carboxylic acid (2.00 mmol); stirring a t ambient temp. for 3 h; the solvent was removed in vac.; elem. anal.;	99%

: [RhCl2(p-cymene)]2

: 480-63-7
mesitylenecarboxylic acid

: Ru(mesitylCO2)2(p-cymene)

Conditions

Conditions	Yield
With potassium carbonate In toluene at 20℃; for 2h; Inert atmosphere;	99%

: 480-63-7
mesitylenecarboxylic acid

: 1182669-71-1
N-(2-methylbenzoyl)-8-aminoquinoline

: 3-methyl-2-(quinolin-8-ylcarbamoyl)phenyl 2,4,6-trimethylbenzoate

Conditions

Conditions	Yield
With cobalt(II) acetate; sodium carbonate; silver sulfate In 1,2-dichloro-ethane at 80℃; for 24h; Inert atmosphere; Sealed tube; regioselective reaction;	99%

: 480-63-7
mesitylenecarboxylic acid

: 62-53-3
aniline

: 2904-67-8
N-(2,4,6-trimethylphenyl)-N'-phenylurea

Conditions

Conditions	Yield
With diphenyl phosphoryl azide; triethylamine In toluene at 100℃; for 0.0166667h; Curtius Rearrangement; Microwave irradiation;	99%

: 480-63-7
mesitylenecarboxylic acid

: 95-54-5
1,2-diamino-benzene

: 36677-31-3
2-(2,4,6-trimethylphenyl)-1H-benzoimidazole

Conditions

Conditions	Yield
With Eaton’s reagent at 140℃; for 0.5h; Inert atmosphere;	98.6%
With Eaton′s Reagent at 120 - 140℃; for 0.5h; Inert atmosphere;	98.6%
With polyphosphoric acid at 200℃; for 2h;	80%
With polyphosphoric acid at 120 - 150℃; for 16h;	62%

: 74-96-4
ethyl bromide

: 480-63-7
mesitylenecarboxylic acid

: 1754-55-8
ethyl 2,4,6-trimethylbenzoate

Conditions

Conditions	Yield
With potassium hydroxide; Aliquat 336 at 60℃; for 1h;	98%
With potassium carbonate In acetone at 100℃; for 0.166667h; microwave irradiation;	94%
With tetradecyl(trihexyl)phosphonium bistriflamide; N-ethyl-N,N-diisopropylamine at 30℃;	86%

: 480-63-7
mesitylenecarboxylic acid

: 100-46-9
benzylamine

: 104385-10-6
N-benzyl-2,4,6-trimethylbenzamide

Conditions

Conditions	Yield
With TEA; diphenyl (2,3-dihydro-2-thioxo-3-benzoxazolyl)phosphonate In various solvent(s) for 2h; Ambient temperature;	98%
With 1-methyl-pyrrolidin-2-one; 3,3'-(phenylphosphinylidene)bis<2(3H)-benzothiazolone; triethylamine Ambient temperature;	91%

: 480-63-7
mesitylenecarboxylic acid

: 100-51-6
benzyl alcohol

: 4909-77-7
benzyl 2,4,6-trimethylbenzoate

Conditions

Conditions	Yield
With pyridine at 115℃; for 0.5h;	98%

: 480-63-7
mesitylenecarboxylic acid

: 74-88-4
methyl iodide

: 2282-84-0
methyl 2,4,6-trimethylbenzoate

Conditions

Conditions	Yield
With potassium hydroxide; Aliquat 336 at 20℃; for 1h;	98%
With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 24h; Inert atmosphere;	88%

: 480-63-7
mesitylenecarboxylic acid

: 106-95-6
allyl bromide

: 2000-88-6
allyl 2,4,6-trimethylbenzoate

Conditions

Conditions	Yield
With caesium carbonate In acetonitrile for 0.5h; Heating;	98%
With potassium fluoride; tetra(n-butyl)ammonium hydrogensulfate In tetrahydrofuran at 20℃; for 72h; Inert atmosphere;	98%

: 480-63-7
mesitylenecarboxylic acid

: 78-39-7
Triethyl orthoacetate

: 1754-55-8
ethyl 2,4,6-trimethylbenzoate

Conditions

Conditions	Yield
microwave irradiation;	98%
In various solvent(s) at 80℃; for 1.5h;	96%

: 480-63-7
mesitylenecarboxylic acid

: 2719-27-9
cyclohexanylcarbonyl chloride

: C17H22O3

Conditions

Conditions	Yield
With triethylamine In tetrahydrofuran at 20℃; for 6h;	98%

: bis(trimethylsilyl)amide yttrium(III)

: 480-63-7
mesitylenecarboxylic acid

: 197774-00-8
yttrium tris(2,4,6-trimethylbenzoate)

Conditions

Conditions	Yield
In tetrahydrofuran byproducts: HN(SiMe3)2; under vac.; to a soln. of Y-contg. compd. (1.50 mmol) in THF was slowly added a soln. of carboxylic acid (4.50 mmol) in THF at -45°C; stirring at ambient temp. overnight (16 h); the solvent and volatiles were removed in vac.; solid was washed severaltimes with hexane; drying for several hours; elem. anal.;	98%
In tetrahydrofuran Ar-atmosphere; stirring for 20 min; evapn. (reduced pressure), washing (PhMe, hexanes);	54%

: 480-63-7
mesitylenecarboxylic acid

: 105-13-5
4-Methoxybenzyl alcohol

: 4-methoxybenzyl 2,4,6-trimethylbenzoate

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile at 80℃; for 3h; Inert atmosphere;	98%

2,4,6-Trimethylbenzoic acid Consensus Reports

Reported in EPA TSCA Inventory.

2,4,6-Trimethylbenzoic acid Specification

The CAS register number of 2,4,6-Trimethylbenzoic acid is 480-63-7. It also can be called as Mesitylenecarboxylic acid and the IUPAC name about this chemical is 2,4,6-trimethylbenzoic acid. The molecular formula about this chemical is C₁₀H₁₂O₂and the molecular weight is 164.20. It belongs to the following product categories, such as Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Organic acids; API intermediates and so on. If you want to store this chemical, please keep it in a closed container and store it in a ventilated, dry place, you need avoid contact with other oxides. This chemical can be used as dyes, pesticides, pharmaceuticals and photoinitiator intermediate, it also can be used for synthesis of Trimethylammonium chloride.

Physical properties about 2,4,6-Trimethylbenzoic acid are: (1)ACD/LogP: 3.28; (2)ACD/LogD (pH 5.5): 1.62; (3)ACD/LogD (pH 7.4): 0.27; (4)ACD/BCF (pH 5.5): 4.06; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 32.24; (7)ACD/KOC (pH 7.4): 1.42; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 26.3Å²; (12)Index of Refraction: 1.544; (13)Molar Refractivity: 47.65 cm³; (14)Molar Volume: 150.7 cm³; (15)Polarizability: 18.89x10^-24cm³; (16)Surface Tension: 41.3 dyne/cm; (17)Enthalpy of Vaporization: 56.65 kJ/mol; (18)Boiling Point: 296.6 °C at 760 mmHg; (19)Vapour Pressure: 0.000639 mmHg at 25°C.

Preparation: this chemical can be prepared by 2,4,6-trimethyl-benzoic acid methyl ester. This reaction will need reagent polystyrene-CH₂=O(CH₂CH₂O)₆.4H copolymer, 60percent aq. KOH. The reaction time is 72 hour(s) with reaction temperature of 70 ℃. The yield is about 81%.

Uses of 2,4,6-Trimethylbenzoic acid: it can be used to produce 3-bromo-2,4,6-trimethyl-benzoic acid. This reaction will need reagent acetic acid and bromine.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. When you are using it, wear suitable protective clothing and do not breathe dust, you also need avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1c(cc(cc1C)C)C
(2)InChI: InChI=1/C10H12O2/c1-6-4-7(2)9(10(11)12)8(3)5-6/h4-5H,1-3H3,(H,11,12)
(3)InChIKey: FFFIRKXTFQCCKJ-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C10H12O2/c1-6-4-7(2)9(10(11)12)8(3)5-6/h4-5H,1-3H3,(H,11,12)
(5)Std. InChIKey: FFFIRKXTFQCCKJ-UHFFFAOYSA-N

The toxicity data is as follows:

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.

Product Name

2,4,6-Trimethylbenzoic acid

Synthetic route

2,4,6-Trimethylbenzoic acid Consensus Reports

2,4,6-Trimethylbenzoic acid Specification

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