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Cas Database

99-04-7

99-04-7

Identification

  • Product Name:m-Toluic acid

  • CAS Number: 99-04-7

  • EINECS:202-723-9

  • Molecular Weight:136.15

  • Molecular Formula: C8H8O2

  • HS Code:29163900

  • Mol File:99-04-7.mol

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;

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Safety information and MSDS view more

  • Pictogram(s):HarmfulXn

  • Hazard Codes:Xn

  • Signal Word:Warning

  • Hazard Statement:H302 Harmful if swallowed

  • First-aid measures: General adviceConsult a physician. Show this safety data sheet to the doctor in attendance.If inhaled If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician. In case of skin contact Wash off with soap and plenty of water. Consult a physician. In case of eye contact Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician. If swallowed Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician. SYMPTOMS: Symptoms of exposure may include irritation of the skin and eyes. ACUTE/CHRONIC HAZARDS: This compound may cause irritation of the skin and eyes. When heated to decomposition it emits acrid smoke and irritating fumes.

  • Fire-fighting measures: Suitable extinguishing media Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. Flash point data for this chemical are not available; however, it is probably combustible. Wear self-contained breathing apparatus for firefighting if necessary.

  • Accidental release measures: Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust. For personal protection see section 8. Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided. Pick up and arrange disposal. Sweep up and shovel. Keep in suitable, closed containers for disposal.

  • Handling and storage: Avoid contact with skin and eyes. Avoid formation of dust and aerosols. Avoid exposure - obtain special instructions before use.Provide appropriate exhaust ventilation at places where dust is formed. For precautions see section 2.2. Store in cool place. Keep container tightly closed in a dry and well-ventilated place.

  • Exposure controls/personal protection:Occupational Exposure limit valuesBiological limit values Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday. Eye/face protection Safety glasses with side-shields conforming to EN166. Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU). Skin protection Wear impervious clothing. The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique(without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands. The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it. Respiratory protection Wear dust mask when handling large quantities. Thermal hazards

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  • Manufacture/Brand:TRC
  • Product Description:m-Toluic Acid
  • Packaging:100g
  • Price:$ 635
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  • Manufacture/Brand:TRC
  • Product Description:m-Toluic Acid
  • Packaging:25g
  • Price:$ 120
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  • Manufacture/Brand:TCI Chemical
  • Product Description:m-Toluic Acid >98.0%(T)
  • Packaging:500g
  • Price:$ 31
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  • Manufacture/Brand:TCI Chemical
  • Product Description:m-Toluic Acid >98.0%(T)
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  • Manufacture/Brand:SynQuest Laboratories
  • Product Description:3-Methylbenzoic acid
  • Packaging:500 g
  • Price:$ 80
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  • Manufacture/Brand:SynQuest Laboratories
  • Product Description:3-Methylbenzoic acid
  • Packaging:100 g
  • Price:$ 48
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  • Manufacture/Brand:SynQuest Laboratories
  • Product Description:3-Methylbenzoic acid
  • Packaging:25 g
  • Price:$ 16
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  • Manufacture/Brand:Sigma-Aldrich
  • Product Description:m-Toluic acid ReagentPlus , 99%
  • Packaging:100g
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  • Manufacture/Brand:Sigma-Aldrich
  • Product Description:3-Methylbenzoic acid for synthesis
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  • Manufacture/Brand:Sigma-Aldrich
  • Product Description:3-Methylbenzoic acid for synthesis. CAS No. 99-04-7, EC Number 202-723-9., for synthesis
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Relevant articles and documentsAll total 254 Articles be found

On the possible causes of enhancement of the heterogeneous catalytic liquid-phase oxidation reaction of m-xylene by microwave radiation

Litvishkov,Tret'Yakov,Talyshinskii,Shakunova,Zul'Fugarova,Mardanova,Nagdalieva

, p. 117 - 120 (2013)

The contribution of the heterogeneous component of the total conversion of m-xylene to the process of its heterogeneous catalytic liquid-phase oxidation has been studied, as this contribution is most clearly manifested in the case of microwave treatment. It has been shown that microwave irradiation shortens the induction period of the reaction taken to reach a steady state. It has been suggested that the observed increase in the generation rate of free m-xylyl radicals by microwave treatment is due to the appearance at the hydrocarbons/catalyst interface of local overheating regions whose temperature can exceed the weight-average temperature in the reaction space.

Gram-scale synthesis of carboxylic acids via catalytic acceptorless dehydrogenative coupling of alcohols and hydroxides at an ultralow Ru loading

Chen, Cheng,Cheng, Hua,Verpoort, Francis,Wang, Zhi-Qin,Wu, Zhe,Yuan, Ye,Zheng, Zhong-Hui

, (2021/12/13)

Acceptorless dehydrogenative coupling (ADC) of alcohols and water/hydroxides is an emergent and graceful approach to produce carboxylic acids. Therefore, it is of high demand to develop active and practical catalysts/catalytic systems for this attractive transformation. Herein, we designed and fabricated a series of cyclometallated N-heterocyclic carbene-Ru (NHC-Ru) complexes via ligand tuning of [Ru-1], the superior complex in our previous work. Gratifyingly, gram-scale synthesis of carboxylic acids was efficiently enabled at an ultralow Ru loading (62.5 ppm) in open air. Moreover, effects of distinct ancillary NHC ligands and other parameters on this catalytic process were thoroughly studied, while further systematic studies were carried out to provide rationales for the activity trend of [Ru-1]-[Ru-7]. Finally, determination of quantitative green metrics illustrated that the present work exhibited superiority over representative literature reports. Hopefully, this study could provide valuable input for researchers who are engaging in metal-catalyzed ADC reactions.

One-Pot Direct Oxidation of Primary Amines to Carboxylic Acids through Tandem ortho-Naphthoquinone-Catalyzed and TBHP-Promoted Oxidation Sequence

Kim, Hun Young,Oh, Kyungsoo,Si, Tengda

supporting information, p. 18150 - 18155 (2021/12/09)

Biomimetic oxidation of primary amines to carboxylic acids has been developed where the copper-containing amine oxidase (CuAO)-like o-NQ-catalyzed aerobic oxidation was combined with the aldehyde dehydrogenase (ALDH)-like TBHP-mediated imine oxidation protocol. Notably, the current tandem oxidation strategy provides a new mechanistic insight into the imine intermediate and the seemingly simple TBHP-mediated oxidation pathways of imines. The developed metal-free amine oxidation protocol allows the use of molecular oxygen and TBHP, safe forms of oxidant that may appeal to the industrial application.

Cleavage of Carboxylic Esters by Aluminum and Iodine

Sang, Dayong,Yue, Huaxin,Fu, Yang,Tian, Juan

, p. 4254 - 4261 (2021/03/09)

A one-pot procedure for deprotecting carboxylic esters under nonhydrolytic conditions is described. Typical alkyl carboxylates are readily deblocked to the carboxylic acids by the action of aluminum powder and iodine in anhydrous acetonitrile. Cleavage of lactones affords the corresponding ω-iodoalkylcarboxylic acids. Aryl acetylates undergo deacetylation with the participation of the neighboring group. This method enables the selective cleavage of alkyl carboxylic esters in the presence of aryl esters.

Efficiency of lithium cations in hydrolysis reactions of esters in aqueous tetrahydrofuran

Hayashi, Kazuhiko,Ichimaru, Yoshimi,Sugiura, Kirara,Maeda, Azusa,Harada, Yumi,Kojima, Yuki,Nakayama, Kanae,Imai, Masanori

, p. 581 - 594 (2021/06/06)

Lithium cations were observed to accelerate the hydrolysis of esters with hydroxides (KOH, NaOH, LiOH) in a water/tetrahydrofuran (THF) two-phase system. Yields in the hydrolysis of substituted benzoates and aliphatic esters using the various hydroxides were compared, and the effects of the addition of lithium salt were examined. Moreover, it was presumed that a certain amount of LiOH was dissolved in THF by the coordination of THF with lithium cation and hydrolyzed esters even in the THF layer, as in the reaction by a phase-transfer catalyst.

Isotruxene-based porous polymers as efficient and recyclable photocatalysts for visible-light induced metal-free oxidative organic transformations

Zhang, Haowen,Zhang, Xiao,Zheng, Ying,Zhou, Cen

supporting information, p. 8878 - 8885 (2021/11/27)

Two new isotruxene-based porous polymers were prepared and demonstrated to be highly efficient, metal-free heterogeneous photocatalysts for oxidative transformations using air as the mild oxidant under visible-light irradiation. Both catalysts show excellent recyclability. In addition, the reactions can be performed in water, further indicating the greenness of this method. This journal is

Process route upstream and downstream products

Process route

biphenyl-4-yl-(3-methylphenyl)methanone
86428-83-3

biphenyl-4-yl-(3-methylphenyl)methanone

m-Toluic acid
99-04-7

m-Toluic acid

biphenyl-4-carboxylic acid
92-92-2

biphenyl-4-carboxylic acid

Conditions
Conditions Yield
carbon monoxide
201230-82-2

carbon monoxide

3-Iodotoluene
625-95-6

3-Iodotoluene

3,3'-dimethyl-biphenyl
612-75-9

3,3'-dimethyl-biphenyl

3,3'-dimethylbenzophenone
2852-68-8

3,3'-dimethylbenzophenone

m-Toluic acid
99-04-7

m-Toluic acid

Conditions
Conditions Yield
With sodium hydroxide; tetrabutylammomium bromide; dicobalt octacarbonyl; iron pentacarbonyl; In water; benzene; at 65 ℃; for 24h;
60%
6 % Chromat.
2 % Chromat.
30%
With sodium hydroxide; iron pentacarbonyl; tetrabutylammomium bromide; In water; benzene; at 70 ℃; for 52h; Further byproducts given;
44%
12 % Chromat.
3 % Chromat.
31%
m-methyl-α-hydroxyacetophenone
121612-23-5

m-methyl-α-hydroxyacetophenone

m-Toluic acid
99-04-7

m-Toluic acid

Conditions
Conditions Yield
With lithium hydroxide; Multistep reaction;
With lithium hydroxide; In water; Equilibrium constant; Thermodynamic data; enthalpy of stepwise dissociation, entropy changes;
3-methyl-N-(hydroxymethyl)benzamide
59630-86-3

3-methyl-N-(hydroxymethyl)benzamide

m-toluamide
618-47-3

m-toluamide

m-Toluic acid
99-04-7

m-Toluic acid

Conditions
Conditions Yield
With potassium chloride; potassium hydroxide; In water; dimethyl sulfoxide; at 25 ℃; Reagent/catalyst; pH-value; Kinetics; Mechanism;
m-tolyl aldehyde
620-23-5

m-tolyl aldehyde

3-methylbenzyl alcohol
587-03-1

3-methylbenzyl alcohol

(3'-methylbenzyl) 3-methylbenzoate
17145-12-9

(3'-methylbenzyl) 3-methylbenzoate

m-Toluic acid
99-04-7

m-Toluic acid

Conditions
Conditions Yield
With aluminum (III) chloride; triethylamine; In dichloromethane; at 20 ℃; for 48h;
81%
7%
7%
With aluminum (III) chloride; triethylamine; In dichloromethane; at 20 ℃; for 48h;
77%
77%
7%
3-methylbenzyl alcohol
587-03-1

3-methylbenzyl alcohol

m-tolyl aldehyde
620-23-5

m-tolyl aldehyde

m-Toluic acid
99-04-7

m-Toluic acid

Conditions
Conditions Yield
With zinc(II) 1,8,15,22-tetrachlorophthalocyanine; C60H60BrFeN4; oxygen; nickel diacetate; at 125 ℃; for 1.5h; under 4500.45 - 7500.75 Torr; Reagent/catalyst; Pressure; Temperature;
m-xylene; at 220 ℃; under 18001.8 Torr;
With water; at 182 ℃; under 12001.2 Torr;
With [(copper(II))3(μ3-1κN3,2κN2O,3κN-N′-(di(pyridin-2-yl)methylene)pyrazine-2-carbohydrazide)(μ-nitrate)(nitrate)3(H2O)3]*(nitrate); dihydrogen peroxide; In acetonitrile; at 50 ℃; for 3h; Time; Reagent/catalyst; Microwave irradiation;
15.3 %Chromat.
5.9 %Chromat.
3.4 %Chromat.
3-methylbenzyl alcohol
587-03-1

3-methylbenzyl alcohol

3-methyl-phenol
108-39-4

3-methyl-phenol

m-tolyl aldehyde
620-23-5

m-tolyl aldehyde

m-Toluic acid
99-04-7

m-Toluic acid

Conditions
Conditions Yield
With water; copper; trifluoroacetic acid; In pyridine; for 1h; Rate constant;
acetic anhydride
108-24-7

acetic anhydride

3-methylbenzyl alcohol
587-03-1

3-methylbenzyl alcohol

m-tolyl aldehyde
620-23-5

m-tolyl aldehyde

m-Toluic acid
99-04-7

m-Toluic acid

Conditions
Conditions Yield
at 75 ℃;
1,2-di-m-tolylethane
4662-96-8

1,2-di-m-tolylethane

3-methylbenzyl alcohol
587-03-1

3-methylbenzyl alcohol

1,2-bis(3-methylphenyl)ethanol
72168-15-1

1,2-bis(3-methylphenyl)ethanol

m-tolyl aldehyde
620-23-5

m-tolyl aldehyde

m-Toluic acid
99-04-7

m-Toluic acid

Conditions
Conditions Yield
With oxygen; for 72h; Product distribution; Ambient temperature; Irradiation;
isophthalic acid
121-91-5

isophthalic acid

m-formylphenyl benzoic acid
619-21-6

m-formylphenyl benzoic acid

1,2,4-benzene tricarboxylic acid
528-44-9

1,2,4-benzene tricarboxylic acid

biphenyl-2,4,3'-tricarboxylic acid

biphenyl-2,4,3'-tricarboxylic acid

benzoic acid
65-85-0,8013-63-6

benzoic acid

m-tolyl aldehyde
620-23-5

m-tolyl aldehyde

m-Toluic acid
99-04-7

m-Toluic acid

Conditions
Conditions Yield
With oxygen; acetic acid; palladium diacetate; tin(II) acetate; antimony(III) acetate; In water; at 182 - 195 ℃; for 1 - 1.5h; under 20929.4 Torr; Product distribution / selectivity;

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