p-toluylic acid
p-Toluic acid
CAS: 99-94-5
Molecular Formula: C8H8O2
p-toluylic acid - Names and Identifiers
| Name | p-Toluic acid |
| Synonyms | p-toluic p-Toluic acid p-toluylic acid crithminic acid 4-methylbenzoate p-carboxytoluene 4-Methylbenzoic acid p-methylbenzoic acid Toluenecarboxylic acid p-Tolylcarboxylic acid Para Toluic Acid (PTA) 4-Carboxytoluene, p-Toluic acid p-Toluic acid,4-Methylbenzoic acid |
| CAS | 99-94-5 |
| EINECS | 202-803-3 |
| InChI | InChI=1/C8H8O2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H,9,10)/p-1 |
| InChIKey | LPNBBFKOUUSUDB-UHFFFAOYSA-N |
p-toluylic acid - Physico-chemical Properties
| Molecular Formula | C8H8O2 |
| Molar Mass | 136.15 |
| Density | 1,06 g/cm3 |
| Melting Point | 177-180 °C (lit.) |
| Boling Point | 274-275 °C (lit.) |
| Flash Point | 181°C |
| Solubility | 0.3g/l |
| Vapor Presure | 0.02 hPa (70 °C) |
| Appearance | White crystal |
| Color | White to slightly yellow-cream |
| Merck | 14,9535 |
| BRN | 507600 |
| pKa | 4.36(at 25℃) |
| PH | 3.73(1 mM solution);3.2(10 mM solution);2.69(100 mM solution) |
| Storage Condition | Store below +30°C. |
| Stability | Stable. Incompatible with strong oxidizing agents, strong bases. |
| Sensitive | Easily absorbing moisture |
| Refractive Index | 1.5120 (estimate) |
| MDL | MFCD00002565 |
| Physical and Chemical Properties | Character white crystals. melting point 182 ℃ boiling point 275 ℃ solubility soluble in methanol, ethanol, ether, insoluble in hot water. |
| Use | Mainly used in the manufacture of hemostatic aromatic acid, methyl nitrile, methyl benzoyl chloride, photosensitive materials |
p-toluylic acid - Risk and Safety
| Hazard Symbols | Xn - Harmful |
| Risk Codes | 22 - Harmful if swallowed |
| Safety Description | S22 - Do not breathe dust. S24/25 - Avoid contact with skin and eyes. |
| WGK Germany | 1 |
| RTECS | XU1575000 |
| TSCA | Yes |
| HS Code | 29163900 |
| Toxicity | LD50 orally in Rabbit: 400 mg/kg |
p-toluylic acid - Nature
Open Data Verified Data
white crystals. Melting point 182 °c. Boiling point 275 °c (sublimation). Soluble in methanol, ethanol, ether, difficult to dissolve in hot water, with the evaporation of water and volatile.
Last Update：2024-01-02 23:10:35
p-toluylic acid - Preparation Method
Open Data Verified Data
- p-xylene is obtained by oxidation under the catalysis of cobalt naphthenate. There are atmospheric pressure method and pressure method.
- p-xylene is prepared by oxidation with concentrated nitric acid.
Last Update：2022-01-01 10:43:02
p-toluylic acid - Introduction
Standard value uncertainty unit capillary melting point (full melting point)(?C) 0 • 20?C/min 180 · 34 0 · 16 capillary melting point (full melting point)(?C) 0 • 20?C/min capillary melting point (full melting point)(?C) 0 • 50?C/min 180 · 62 0 · 19 capillary melting point (full melting point)(?C) 0 • 50?C/min capillary melting point (full melting point)(?C) 1 • 0?C/min 180 · 97 0 · 19 capillary melting point (full melting point)(?C) 1 • 0?C/min
Last Update：2022-10-16 17:30:33
p-toluylic acid - Use
Open Data Verified Data
intermediates for pharmaceuticals, photosensitive materials, pesticides, pigments, etc.
Last Update：2022-01-01 10:43:02
p-toluylic acid - Safety
Open Data Verified Data
- see benzoic acid (C 145)
- The packaging is lined with plastic bags and externally packaged in iron barrels.
Last Update：2022-01-01 10:43:03
p-toluylic acid - Reference Information
| LogP | 2.44 |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Introduction | p-methyl benzoic acid is white or light yellow crystalline powder, soluble in methanol, ether, insoluble in hot water, can be evaporated with water vapor; phthalic acid can be obtained by oxidation, which can be used as an intermediate for medicine, photosensitive material, pesticide and organic pigment. Mainly used in the manufacture of hemostatic aromatic acid, methyl nitrile, methyl benzoyl chloride, photosensitive materials. |
| Application | p-methyl benzoic acid is mainly used in the manufacture of hemostatic aromatic acid, P-methyl nitrile, P-methyl benzoyl chloride, photosensitive materials, etc, for organic synthesis of intermediates, pesticide industry for the preparation of fungicides phosphorus amide. |
| purpose | mainly used in the manufacture of hemostatic aromatic acids, para-carbonitrile, para-toluoyl chloride, photosensitive materials, such as for organic synthesis of intermediates, pesticide industry for the preparation of fungicides phosphorus amide, can also be used for spices and film. determination of thorium. Separation of calcium and strontium. Organic Synthesis. Can be used as medicine, photosensitive materials, pesticides, organic pigment intermediates. |
| production method | 1. Prepared by catalytic oxidation of p-xylene with air. When the atmospheric pressure method is used, xylene and cobalt naphthenate can be added to the reaction pot, and the air is introduced when the temperature is heated to 90 ° C, the temperature is controlled at 110-115 ° C, and the reaction is about 24 hours, about 5% of p-xylene was converted to p-methylbenzoic acid. It was cooled to room temperature, filtered, and the filter cake was washed with p-xylene and dried to give P-Toluic acid. While p-xylene is recycled. The yield was 30-40%. When the pressure oxidation method is used, the reaction temperature is 125 ℃, the pressure is 0.25MPa, the ventilation amount is 250L for 1H, and the reaction time is 6H. Unreacted xylene was then distilled off with steam and the oxide was acidified with concentrated hydrochloric acid to a pH of 2. It was cooled with stirring and filtered. The filter cake is soaked in p-xylene and then filtered, and dried to obtain p-Toluic acid with a content of more than 96%. The single-pass conversion rate of p-xylene is 40%, and the yield is 60-70%. 2. From the oxidation of p-isopropyl toluene with nitric acid. 20% nitric acid and p-isopropyl toluene were mixed, and the mixture was heated to 80-90 °c with stirring, reacted for 4H, and further warmed to 90-95 °c for 6H. It is cooled, filtered, and the filter cake is recrystallized from toluene to give P-Toluic acid in 50-53% yield. In addition, Oxidation of p-xylene with concentrated nitric acid, reaction 30H, can also be obtained, the yield of 58%. |
| autoignition temperature | 570°C |
Last Update：2024-04-09 02:00:11
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