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499-06-9

Basic Information
CAS No.: 499-06-9
Name: 3,5-Dimethylbenzoic acid
Molecular Structure:
Molecular Structure of 499-06-9 (3,5-Dimethylbenzoic acid)
Formula: C9H10O2
Molecular Weight: 150.18
Synonyms: Mesitylenic acid;3, 5-Dimethylbenzoic acid;Benzoic acid, 3,5-dimethyl-;3,5-dimethylbenzoate;Benzoic acid,3,5-dimethyl-;4-09-00-01806 (Beilstein Handbook Reference);
EINECS: 207-876-5
Density: 1.116 g/cm3
Melting Point: 169-171 °C(lit.)
Boiling Point: 277.9 °C at 760 mmHg
Flash Point: 128.2 °C
Solubility: Soluble in methanol. (1 g/10 mL). Slightly soluble in water.
Appearance: white to light yellow crystalline powder
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
Transport Information:
PSA: 37.30000
LogP: 2.00160
Synthetic route
108-67-8

1,3,5-trimethyl-benzene

499-06-9

3,5-dimethylbenzoic acid

Conditions
ConditionsYield
With tert.-butylhydroperoxide; RuIII-Montmorillonite K10 In acetonitrile for 4h; Heating;94%
With 2-Picolinic acid; sodium tetrahydroborate; bismuth(III) oxide; tert.-butylhydroperoxide In pyridine; water; acetic acid at 110℃; for 16h;78%
Stage #1: 1,3,5-trimethyl-benzene With tert.-butylhydroperoxide; sodium hydroxide; tungsten(VI) oxide In water at 80℃; for 10h;
Stage #2: With hydrogenchloride In water
72%
201230-82-2

carbon monoxide

22445-41-6

3,5-dimethylphenyl iodide

499-06-9

3,5-dimethylbenzoic acid

Conditions
ConditionsYield
With water; palladium diacetate; potassium carbonate at 20℃; under 760.051 Torr; for 10h;94%
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;85%

3,5-dihydroxy-triisopropylsilyl benzoate

499-06-9

3,5-dimethylbenzoic acid

Conditions
ConditionsYield
With Selectfluor at 150℃; for 0.166667h; Microwave irradiation;93%
With methanol; trimethylsilyl bromide at 20℃; for 4h; chemoselective reaction;90%
124-38-9

carbon dioxide

3,5-dimethylphenyl sulfurofluoridate

499-06-9

3,5-dimethylbenzoic acid

Conditions
ConditionsYield
With manganese; bis(triphenylphosphine)nickel(II) chloride; 2.9-dimethyl-1,10-phenanthroline In N,N-dimethyl-formamide at 20℃; under 760.051 Torr; for 20h; Schlenk technique; Inert atmosphere; Glovebox;92%
1020038-85-0

1-(3,5-dimethylphenyl)butane-1,3-dione

499-06-9

3,5-dimethylbenzoic acid

Conditions
ConditionsYield
With oxygen; sodium hydrogencarbonate In acetonitrile for 4h; Molecular sieve; Irradiation;89%
5779-95-3

3,5-dimethylbenzaldehyde

499-06-9

3,5-dimethylbenzoic acid

Conditions
ConditionsYield
With sodium hydroxide In water at 20 - 75℃; for 20h;87%
With oxygen; dibromobis(pyridine)cobalt(II) In acetic acid at 75℃; Product distribution; Rate constant; other cobalt bromide catalysts, other solvent;
124-38-9

carbon dioxide

22445-41-6

3,5-dimethylphenyl iodide

499-06-9

3,5-dimethylbenzoic acid

Conditions
ConditionsYield
With 3,4-benzo-1,1,2,2-tetraethyl-1,2-disilacyclobut-3-ene; cesium fluoride In N,N-dimethyl-formamide at 0 - 20℃; under 760.051 Torr; for 2h;87%
With copper(l) iodide; diethylzinc; N,N`-dimethylethylenediamine In dimethyl sulfoxide at 25℃; under 760.051 Torr;80%
124-38-9

carbon dioxide

556-97-8

1-chloro-3,5-dimethylbenzene

499-06-9

3,5-dimethylbenzoic acid

Conditions
ConditionsYield
With manganese; 2,9-dibutyl-4,7-dimethyl-1,10-phenanthroline; tetraethylammonium iodide; lithium acetate; cobalt(II) bromide In N,N-dimethyl acetamide at 100℃; under 760.051 Torr; for 12h; Inert atmosphere; Schlenk technique;84%
124-38-9

carbon dioxide

556-96-7

5-bromo-1,3-xylene

499-06-9

3,5-dimethylbenzoic 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;83%
108-67-8

1,3,5-trimethyl-benzene

A

499-06-9

3,5-dimethylbenzoic acid

B

554-95-0

benzene-1,3,5-tricarboxylic acid

Conditions
ConditionsYield
Stage #1: 1,3,5-trimethyl-benzene With C96H72Cr2N8O; C36H24CuN8; 2-hydroxy-6-nitro-1H-isoindole-1,3-dione at 120℃; under 3750.38 Torr; for 3h;
Stage #2: With acetic acid at 180℃; under 7500.75 Torr; for 2.5h;
Stage #3: With acetic acid at 235℃; under 18001.8 Torr; for 1.8h; Reagent/catalyst; Temperature; Pressure; Overall yield = 96.8 %;
A 14.4%
B 82.4%
124-38-9

carbon dioxide

108-68-9

3,5-Dimethylphenol

499-06-9

3,5-dimethylbenzoic acid

Conditions
ConditionsYield
Stage #1: 3,5-Dimethylphenol With fluorosulfonyl fluoride; sodium hydride In N,N-dimethyl-formamide for 0.5h;
Stage #2: carbon dioxide With manganese; bis(triphenylphosphine)nickel(II) chloride; 2.9-dimethyl-1,10-phenanthroline In N,N-dimethyl-formamide at 20℃; under 760.051 Torr; for 20h; Schlenk technique; Inert atmosphere; Glovebox;
77%

2-(3,5-dimethylphenyl)-5,5-dimethyl-1,3,2-dioxaborinane

124-38-9

carbon dioxide

499-06-9

3,5-dimethylbenzoic acid

Conditions
ConditionsYield
With 1,3-bis-(diphenylphosphino)propane; cesium fluoride; [Rh(OH)(cod)]2 In 1,4-dioxane at 60℃;76%
22445-41-6

3,5-dimethylphenyl iodide

H2O*CHLiO2

499-06-9

3,5-dimethylbenzoic acid

Conditions
ConditionsYield
With formic acid; 1,3-bis-(diphenylphosphino)propane; acetic anhydride; nickel(II) acetylacetonate In tetrahydrofuran at 100℃; for 24h; Schlenk technique; Inert atmosphere; Sealed tube;70%
22445-41-6

3,5-dimethylphenyl iodide

6108-23-2

lithium formate monohydrate

499-06-9

3,5-dimethylbenzoic acid

Conditions
ConditionsYield
With bis(acetylacetonate)nickel(II); formic acid; 1,3-bis-(diphenylphosphino)propane; acetic anhydride In tetrahydrofuran at 100℃; for 24h; Schlenk technique; Inert atmosphere;70%

C17H20N2O

A

499-06-9

3,5-dimethylbenzoic acid

B

5779-95-3

3,5-dimethylbenzaldehyde

Conditions
ConditionsYield
With hydrogenchloride; water for 0.25h;A 34%
B 67%
77130-24-6

N,N'-Di-(3,5-dimethylbenzoyl)-1,2-di-(4-pyridyl)-ethylenediamine

A

499-06-9

3,5-dimethylbenzoic acid

B

111080-63-8

2-(3,5-dimethylphenyl)-4,5-di(4-pyridyl)-2-imidazoline

Conditions
ConditionsYield
With sulfuric acid for 6h; Heating;A 64%
B 66%
108-67-8

1,3,5-trimethyl-benzene

A

499-06-9

3,5-dimethylbenzoic acid

B

5779-95-3

3,5-dimethylbenzaldehyde

Conditions
ConditionsYield
With oxygen; 9,10-Dicyanoanthracene; Paraquat; iron(II) chloride In methanol; acetonitrile for 8h; Ambient temperature; Irradiation;A 26%
B 61%
With oxygen at 100℃; in diffusem Licht;
With dmap; oxygen; benzyl bromide In acetonitrile at 160℃; under 7500.75 Torr; for 3h; Autoclave;
22445-41-6

3,5-dimethylphenyl iodide

109-77-3

malononitrile

499-06-9

3,5-dimethylbenzoic acid

Conditions
ConditionsYield
Stage #1: 3,5-dimethylphenyl iodide; malononitrile With copper(l) iodide; caesium carbonate; L-proline In dimethyl sulfoxide at 130℃; for 24h; Ullmann type reaction; Inert atmosphere;
Stage #2: In dimethyl sulfoxide at 140℃; for 12h;
Stage #3: With hydrogenchloride In water pH=2 - 3;
60%
108-67-8

1,3,5-trimethyl-benzene

A

499-06-9

3,5-dimethylbenzoic acid

B

5779-95-3

3,5-dimethylbenzaldehyde

C

27129-87-9

3,5-dimethylbenzyl alcohol

Conditions
ConditionsYield
With N-hydroxyphthalimide; oxygen; cobalt(II) acetate In acetic acid at 25℃; under 760 Torr; for 30h;A 51%
B 21%
C 2%
With N-hydroxyphthalimide; oxygen; cobalt(II) acetate In acetic acid at 25℃; under 760 Torr; for 20h;A 39%
B 26%
C 2%
With air; Pt2 In acetonitrile Product distribution; Ambient temperature; Irradiation; relative rate;A 12 % Chromat.
B 65 % Chromat.
C 10 % Chromat.
35509-95-6

3,5-dimethylbenzyliodide

A

499-06-9

3,5-dimethylbenzoic acid

B

5779-95-3

3,5-dimethylbenzaldehyde

Conditions
ConditionsYield
With sodium periodate In N,N-dimethyl-formamide at 150℃; for 1h; Reagent/catalyst; Inert atmosphere;A 21%
B 41%
Multi-step reaction with 3 steps
1: 3 h / 100 °C
2: pyridine; sodium amide / water / 20 °C / Reflux
3: water; hydrogenchloride / 0.25 h
View Scheme
108-67-8

1,3,5-trimethyl-benzene

A

499-06-9

3,5-dimethylbenzoic acid

B

499-49-0

5-methylisophthalic aicd

Conditions
ConditionsYield
With tert.-butylhydroperoxide; mesoporous chromosilicate (Cr-MCM-41) In methanol for 15h; Heating;A 25%
B 15%
With nitric acid man loest die ausgeschiedenen Saeuren in Soda, faellt mit Salzsaeure und destilliert mit Wasser, wobei Uvitinsaeure zurueckbleibt;
16695-81-1

1-(3,5-dimethyl-phenyl)-2-methyl-propene

A

499-06-9

3,5-dimethylbenzoic acid

B

499-49-0

5-methylisophthalic aicd

Conditions
ConditionsYield
With potassium permanganate
141-52-6

sodium ethanolate

127-09-3

sodium acetate

499-06-9

3,5-dimethylbenzoic acid

Conditions
ConditionsYield
at 205℃; beim Ueberleiten von Kohlenoxyd;
With zinc
108-67-8

1,3,5-trimethyl-benzene

A

499-06-9

3,5-dimethylbenzoic acid

B

603-71-4

nitromesitylene

Conditions
ConditionsYield
With water; nitric acid
108-67-8

1,3,5-trimethyl-benzene

A

499-06-9

3,5-dimethylbenzoic acid

B

3095-38-3

3,5-dimethyl-4-nitrobenzoic acid

Conditions
ConditionsYield
With nitric acid
5692-35-3

3,5-dimethylbenzamide

499-06-9

3,5-dimethylbenzoic acid

Conditions
ConditionsYield
With nitrosonium tetrafluoroborate In acetonitrile
107-02-8

acrolein

499-06-9

3,5-dimethylbenzoic acid

Conditions
ConditionsYield
(i) MgO, (heating), (ii) Ag2O; Multistep reaction;
108-67-8

1,3,5-trimethyl-benzene

A

499-06-9

3,5-dimethylbenzoic acid

B

27129-86-8

1-bromomethyl-3,5-dimethylbenzene

Conditions
ConditionsYield
With oxygen; sodium bromide; cobalt(II) acetate at 64.9℃; Rate constant; kinetic control and diffusion control;
499-06-9

3,5-dimethylbenzoic acid

31673-46-8

3,5-dimethylcyclohexa-2,5-diene-1-carboxylic acid

Conditions
ConditionsYield
With ammonia; lithium In tetrahydrofuran at -78 - -50℃; for 1h; Birch Reduction; Inert atmosphere;100%
With ammonia; lithium Birch reduction;95%
With N,N'-Dimethylurea; tris(pyrrolidino)phosphine oxide; lithium bromide In tetrahydrofuran Electrochemical reaction;95%
499-06-9

3,5-dimethylbenzoic acid

C21H22IN3O3

C30H30IN3O4

Conditions
ConditionsYield
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 In N,N-dimethyl-formamide at 0 - 20℃; for 18h; Inert atmosphere;100%
499-06-9

3,5-dimethylbenzoic acid

10267-21-7

13(S)-labdan-8α,15-diol

13(S)-labdan-8α-ol-15-yl 3,5-dimethylbenzoate

Conditions
ConditionsYield
With dmap; diisopropyl-carbodiimide In dichloromethane at 20℃; Cooling with ice;100%
499-06-9

3,5-dimethylbenzoic acid

6613-44-1

3,5-dimethylbenzoyl chloride

Conditions
ConditionsYield
With thionyl chloride for 3h; Temperature; Sonication; Reflux;99.25%
With thionyl chloride at 20 - 50℃; for 4h; Time;98.7%
With thionyl chloride at 32 - 65℃; for 8.5h; Temperature;98.55%
499-06-9

3,5-dimethylbenzoic acid

498-66-8

norborn-2-ene

C8H11O2C6H5CH2CH2

Conditions
ConditionsYield
silver trifluoromethanesulfonate; iron(III) chloride In 1,2-dichloro-ethane at 80℃;99%
499-06-9

3,5-dimethylbenzoic acid

C20H18O3

C29H26O4

Conditions
ConditionsYield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 20℃; for 16h;99%
499-06-9

3,5-dimethylbenzoic acid

64-17-5

ethanol

21239-29-2

3,5-dimethylbenzoic acid, ethyl ester

Conditions
ConditionsYield
With sulfuric acid for 15h; Reflux;98%
With hydrogenchloride
With sulfuric acid
499-06-9

3,5-dimethylbenzoic acid

C9H9O2(1-)*K(1+)

25569-79-3

3,5-dimethylbenzoic anhydride

Conditions
ConditionsYield
Stage #1: 3,5-dimethylbenzoic acid With trichloroisocyanuric acid; triphenylphosphine In dichloromethane at 0 - 20℃;
Stage #2: C9H9O2(1-)*K(1+) In dichloromethane at 20℃; for 0.583333h;
98%
499-06-9

3,5-dimethylbenzoic acid

87679-18-3

(1s,3R,5S)-3,5-dimethylcyclohexane-1-carboxylic acid

Conditions
ConditionsYield
With Adam’s catalyst; hydrogen; acetic acid In ethanol at 23℃; under 3102.97 Torr; for 18h;98%
With platinum(IV) oxide; hydrogen In ethanol at 20℃; under 3620.13 Torr; for 16h;92%
499-06-9

3,5-dimethylbenzoic acid

16939-57-4

(E)-1-Phenyl-1,3-butadiene

Conditions
ConditionsYield
With pyridine; tetrakis(triphenylphosphine) palladium(0) In water; 1,2-dichloro-ethane at 50℃;98%
499-06-9

3,5-dimethylbenzoic acid

67-56-1

methanol

25081-39-4

methyl 3,5-dimethylbenzoate

Conditions
ConditionsYield
With sulfuric acid for 48h; Heating;97%
With sulfuric acid for 48h; Reflux;97%
With sulfuric acid for 48h; Reflux;97%
499-06-9

3,5-dimethylbenzoic acid

125370-09-4

tetrakis[bis(trimethylsilyl)methyl]digallane(4)

[Ga2(O2CC6H3(CH3)2)2(CH(Si(CH3)3)2)2]

Conditions
ConditionsYield
In pentane byproducts: CH2(SiMe3)2; (argon); -40°C to room temp., stirring for 4-12 h; evapn., recrystn. (pentane, 20/-50°C); elem. anal.;96%
499-06-9

3,5-dimethylbenzoic acid

109-89-7

diethylamine

15930-57-1

N,N-diethyl-3,5-dimethylbenzamide

Conditions
ConditionsYield
Stage #1: 3,5-dimethylbenzoic acid With oxalyl dichloride In dichloromethane
Stage #2: diethylamine
96%
With oxalyl dichloride; triethylamine; N,N-dimethyl-formamide for 9h; Inert atmosphere;89%
499-06-9

3,5-dimethylbenzoic acid

2-(diphenylmethoxy)-pyridine

benzhydryl 3,5-dimethylbenzoate

Conditions
ConditionsYield
With iron(III) chloride In 1,2-dichloro-ethane at 20℃; for 12h;96%
With boron trifluoride diethyl etherate In 1,2-dichloro-ethane at 20℃; for 6h; Inert atmosphere;93%
499-06-9

3,5-dimethylbenzoic acid

554-95-0

benzene-1,3,5-tricarboxylic acid

Conditions
ConditionsYield
With zirconium(II) acetate; triethanolamine; oxygen; cobalt(II) acetate; manganese(II) acetate; acetic acid; potassium bromide at 80℃; for 7h; Reagent/catalyst; Temperature; Reflux;95%
With chromic acid
With nitric acid
Multi-step reaction with 2 steps
1: K2cr2O7; diluted sulfuric acid
2: chromic acid mixture
View Scheme
499-06-9

3,5-dimethylbenzoic acid

100-51-6

benzyl alcohol

benzyl 3,5-dimethylbenzoate

Conditions
ConditionsYield
Stage #1: 3,5-dimethylbenzoic acid With N-chlorobenzotriazole; triphenylphosphine In dichloromethane for 0.25h; Cooling;
Stage #2: benzyl alcohol With triethylamine In dichloromethane at 20℃; for 1h;
95%
With dmap; dicyclohexyl-carbodiimide In chloroform at 20℃; for 20h;100 % Spectr.
110-91-8

morpholine

499-06-9

3,5-dimethylbenzoic acid

(3,5-dimethylphenyl)(morpholin-4-yl)methanone

Conditions
ConditionsYield
Stage #1: 3,5-dimethylbenzoic acid With oxalyl dichloride; N,N-dimethyl-formamide In dichloromethane at 0 - 20℃; for 5h; Inert atmosphere;
Stage #2: morpholine In dichloromethane at 20℃; for 4h; Inert atmosphere;
95%
110-89-4

piperidine

499-06-9

3,5-dimethylbenzoic acid

59480-88-5

(3,5-dimethylphenyl)(piperidin-1-yl)methanone

Conditions
ConditionsYield
Stage #1: 3,5-dimethylbenzoic acid With oxalyl dichloride; N,N-dimethyl-formamide In dichloromethane at 0 - 20℃; for 5h; Inert atmosphere;
Stage #2: piperidine In dichloromethane at 20℃; for 4h; Inert atmosphere;
94%
499-06-9

3,5-dimethylbenzoic acid

108-38-3

m-xylene

Conditions
ConditionsYield
With silver(I) acetate; potassium carbonate In N,N-dimethyl acetamide at 140℃;94%
499-06-9

3,5-dimethylbenzoic acid

4083-64-1

Tosyl isocyanate

N-Ts-3,5-dimethylbenzamide

Conditions
ConditionsYield
With triethylamine In tetrahydrofuran at 60℃;94%
499-06-9

3,5-dimethylbenzoic acid

52095-18-8

2-nitro-3,5-dimethylbenzoic acid

Conditions
ConditionsYield
With sulfuric acid; nitric acid; acetic acid at 80℃; for 0.5h;93%
With sulfuric acid; nitric acid; acetic acid at 80℃; for 0.5h;93%
With sulfuric acid; nitric acid; acetic acid at 80℃; Inert atmosphere;87%
With sulfuric acid; nitric acid
499-06-9

3,5-dimethylbenzoic acid

540-51-2

2-bromoethanol

1130061-65-2

2-bromoethyl 3,5-dimethylbenzoate

Conditions
ConditionsYield
Stage #1: 3,5-dimethylbenzoic acid With dmap; dicyclohexyl-carbodiimide In dichloromethane at 20℃; for 1h;
Stage #2: 2-bromoethanol In dichloromethane at 20℃; for 48h;
93%
499-06-9

3,5-dimethylbenzoic acid

5779-95-3

3,5-dimethylbenzaldehyde

Conditions
ConditionsYield
With dipotassium hydrogenphosphate; fac-tris(2-phenylpyridinato-N,C2')iridium(III); tris-(trimethylsilyl)silane; dimethyl dicarbonate In acetonitrile at 20℃; for 6h; Schlenk technique; Inert atmosphere; Sealed tube; Irradiation;93%
With P(p-CH3OC6H4)3; methylphenylsilane; 2,2-dimethylpropanoic anhydride; bis(dibenzylideneacetone)-palladium(0) In toluene at 80℃; for 20h; Schlenk technique; Inert atmosphere;71%
With maleic anhydride; Dimethylphenylsilane; nickel(II) acetate tetrahydrate; 2,2'-Bipyrimidine In tetrahydrofuran at 100℃; for 12h; Schlenk technique; Inert atmosphere;71%
Multi-step reaction with 2 steps
1: indium (III) iodide / toluene / 2 h / 60 °C / Inert atmosphere; Sealed tube
2: indium (III) iodide; dihydrogen peroxide / toluene; water / 15 h / 20 °C / Inert atmosphere; Sealed tube
View Scheme
499-06-9

3,5-dimethylbenzoic acid

705928-69-4

1-((1R,2R)-2-amino-cyclohexyl)-3-(3,5-bis(trifluoromethyl)phenyl)urea

N-{(1R,2R)-2-[3-(3,5-Bis-trifluoromethyl-phenyl)-ureido]-cyclohexyl}-3,5-dimethyl-benzamide

Conditions
ConditionsYield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide at 20℃; for 24h;92%
499-06-9

3,5-dimethylbenzoic acid

100-46-9

benzylamine

N-benzyl-3,5-dimethylbenzamide

Conditions
ConditionsYield
Stage #1: 3,5-dimethylbenzoic acid With N-chlorobenzotriazole; triphenylphosphine In dichloromethane for 0.25h;
Stage #2: benzylamine With triethylamine In dichloromethane at 20℃; for 0.833333h;
92%
With HP-β-CD; 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium chloride; sodium chloride In ethanol; ethyl acetate at 20℃; for 24h;
499-06-9

3,5-dimethylbenzoic acid

zirconium(IV) nitrate

oxozirconium(IV)(3,5-dimethylbenzoate)2*water

Conditions
ConditionsYield
With NaOH In water Mixing of NaOH dissolved in distd. H2O with org. compd., heating to about 80°C and filtn. of resulting soln. Addn. of Zr(NO3)4 in distd. H2O.; Filtn. of immediately formed ppt., washing with H2O, drying in vac. over P4O10 at 50°C, elem. anal.;92%
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  • 3,5-Dimethylbenzoic acid

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    499-06-9

    3,5-Dimethylbenzoic acid

    Min.Order: 1 Kilogram

    FOB Price:  USD $ 2.0-3.0/Kilogram

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  • TIANFUCHEM--499-06-9---3,5-Dimethylbenzoic acid

  • Casno:

    499-06-9

    TIANFUCHEM--499-06-9---3,5-Dimethylbenzoic acid

    Min.Order: 1 Metric Ton

    FOB Price:  USD $ 500.0-500.0/Metric Ton

    Our company was built in 2009 with an ISO certificate.In the past 6 years, we have grown up as a famous fine chemicals supplier in China and we had established stable business relationships with Samsung,LG,Merck,Thermo Fisher Scientific and so

    Welcome to Henan Tianfu Chemical Co., Ltd. Our company engages in noble metal catalysts, synthesis of electronic chemical materials and Pharmaceutical, Agrochemicals, Food Additive

  •  Henan Tianfu Chemical Co., Ltd.

     China (Mainland)  |  Contact Details

    Business Type:Lab/Research institutions

    Tel:86-371-55170693/55170694

    Address:Zhengzhou International Trade New Territory,Jinshui District,Zhengzhou ,China

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  • 3,5-Dimethylbenzoic acid

  • Casno:

    499-06-9

    3,5-Dimethylbenzoic acid

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0/

    Packing: According to customer requirements Delivery time: In stock or depands Port of shipment: Ningbo/Shanghai/Qingdao OEM/ODM:Welcome Sample:We can offer our existing samples at once Transportation:Express/Sea/Air Port:Ningbo/Shanghai/Qingd

    Our company was funded in 2018. In order to adapt to the trend of world development, we established B2B e-commerce sector in Hangzhou. We supply raw material of chemicals, like API

  •  Hangzhou Fonlynn Health Technology Co., Ltd.

     China (Mainland)  |  Contact Details

    Business Type:Trading Company

    Tel:s

    Address:Room 622, Building 11, Yifeng City, Nanyuan Street, Yuhang District

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  • 3,5-Dimethylbenzoic acid

  • Casno:

    499-06-9

    3,5-Dimethylbenzoic acid

    Min.Order: 1 Kilogram

    FOB Price:  USD $ 0.0-0.0/Kilogram

    1, High quality with competitive price: 2, Fast and safe delivery 3.Excellent pre-sales and after-sales service 4. Well-trained and professional technologist and sales with rich experience in the field Appearance:see detailed specifications Sto

    Hangzhou Clap Technology Co., Ltd is a leading manufacturer and supplier of API, Pharma intermediates, organic and inorganic compounds, rare earth, pesticide, raw drugs, fine chemi

  •  HANGZHOU CLAP TECHNOLOGY CO,.LTD

     China (Mainland)  |  Contact Details

    Business Type:Trading Company

    Tel:86-571-56972507

    Address:Room 4198,Floor 4,No.4,ShanXian Road XiaCheng District,HangZhou city,ZheJiang province,China

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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The Mesitylenic acid is an organic compound with the formula C9H10O2. The IUPAC name of this chemical is 3,5-dimethylbenzoic acid. With the CAS registry number 499-06-9, it is also named as Benzoic acid, 3,5-dimethyl-. The product's categories are Carboxylicacid; Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts. Besides, it is a white to light yellow crystalline powder, which should be stored in a closed ventilated and dry place. It is used in organic synthesis, also used as an intermediate for pharmaceuticals and pesticides such as tebufenozide, methoxyfenozide.

Physical properties about Mesitylenic acid are: (1)ACD/LogP: 2.82; (2)ACD/LogD (pH 5.5): 1.63; (3)ACD/LogD (pH 7.4): 0.01; (4)ACD/BCF (pH 5.5): 5.33; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 53.14; (7)ACD/KOC (pH 7.4): 1.28; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 26.3 Å2; (12)Index of Refraction: 1.549; (13)Molar Refractivity: 42.83 cm3; (14)Molar Volume: 134.5 cm3; (15)Polarizability: 16.98×10-24cm3; (16)Surface Tension: 43.1 dyne/cm; (17)Density: 1.116 g/cm3; (18)Flash Point: 128.2 °C; (19)Enthalpy of Vaporization: 54.56 kJ/mol; (20)Boiling Point: 277.9 °C at 760 mmHg; (21)Vapour Pressure: 0.00211 mmHg at 25°C.

Preparation: this chemical can be prepared by 1,3,5-trimethyl-benzene. This reaction will need reagent diluted nitric acid.



Uses of Mesitylenic acid: it can be used to produce 3,5-dimethyl-benzoyl chloride. This reaction is a kind of Chlorination. It will need reagent (COCl)2, DMF and solvent CH2Cl2.

When you are using this chemical, please be cautious about it as the following:
Tthis chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1cc(cc(c1)C)C
(2)InChI: InChI=1/C9H10O2/c1-6-3-7(2)5-8(4-6)9(10)11/h3-5H,1-2H3,(H,10,11)
(3)InChIKey: UMVOQQDNEYOJOK-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C9H10O2/c1-6-3-7(2)5-8(4-6)9(10)11/h3-5H,1-2H3,(H,10,11)
(5)Std. InChIKey: UMVOQQDNEYOJOK-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 750mg/kg (750mg/kg) BEHAVIORAL: REGIDITY

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)
Journal of Medicinal Chemistry. Vol. 11, Pg. 1020, 1968.