3-methylbenzoate
m-Toluic acid
CAS: 99-04-7
Molecular Formula: C8H8O2
3-methylbenzoate - Names and Identifiers
| Name | m-Toluic acid |
| Synonyms | m-Toluic acid 3-TOLUIC ACID M-TOLUIC ACID 3-Toluic acid M-TOLUYLIC ACID m-toluylic acid 3-methylbenzoate m-Methylbenzoate RARECHEM AL BO 0048 3-METHYLBENZOIC ACID M-METHYLBENZOIC ACID m-methylbenzoic acid METHYLBENZOIC(M-) ACID beta-methylbenzoic acid beta-methylbenzoic acid |
| CAS | 99-04-7 |
| EINECS | 202-723-9 |
| InChI | InChI=1/C8H8O2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H,9,10)/p-1 |
| InChIKey | GPSDUZXPYCFOSQ-UHFFFAOYSA-N |
3-methylbenzoate - Physico-chemical Properties
| Molecular Formula | C8H8O2 |
| Molar Mass | 136.15 |
| Density | 1.054 g/mL at 25 °C (lit.) |
| Melting Point | 107-113 °C (lit.) |
| Boling Point | 263 °C (lit.) |
| Flash Point | 150 °C |
| Water Solubility | <0.1 g/100 mL at 19 ºC |
| Solubility | Soluble in ethanol and ether, soluble in 60 parts of boiling water, soluble in 1170 parts of water at 15 ℃. |
| Vapor Presure | 0.019Pa at 25℃ |
| Appearance | Pale yellow crystal |
| Color | Slightly yellow to beige-yellow |
| Merck | 14,9535 |
| BRN | 970526 |
| pKa | 4.27(at 25℃) |
| PH | 3.69(1 mM solution);3.15(10 mM solution);2.64(100 mM solution); |
| Storage Condition | Store below +30°C. |
| Stability | Stable. Combustible. Incompatible with strong oxidizing agents. |
| Sensitive | Easily absorbing moisture |
| Refractive Index | 1.509 |
| MDL | MFCD00002523 |
| Physical and Chemical Properties | Character white or yellow crystals. melting point 111~113 ℃ boiling point 263 ℃ relative density 1.054g/cm3 refractive index 1.509 solubility is almost insoluble in water, slightly soluble in boiling water, soluble in ethanol, ether. |
| Use | Mainly used for the production of high-efficiency mosquito repellent, N,N-diethyl-m-toluamide, M-toluoyl chloride, M-toluonitrile, etc |
3-methylbenzoate - 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. S36 - Wear suitable protective clothing. |
| WGK Germany | 3 |
| RTECS | XU1200000 |
| TSCA | Yes |
| HS Code | 29163900 |
| Toxicity | LD50 orally in Rabbit: 7000 mg/kg |
3-methylbenzoate - Introduction
Easy to sublimate. Low toxicity, half lethal dose (rat, oral)>3200mg/kg. Solubility in water: 1g/l (20°C)
Last Update：2022-10-16 17:30:31
3-methylbenzoate - Reference Information
| LogP | 2.37 |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Application | mainly used for the production of high-efficiency mosquito repellent, N,N-diethyl-m-toluamide, M-toluoyl chloride, it can be used as an intermediate of drug toluene diethylamine. It is also used in the production of pesticides and other chemical products. It is used in organic synthesis intermediates, pesticide industry to prepare fungicide phosphoramide, and can also be used in spices and film. |
| production method | is derived from the catalytic oxidation of M-xylene. Using cobalt epoxide as catalyst, M-Xylene is oxidized by air at a temperature of 125-135 ℃ and a pressure of about 0.25MPa. Consumption of M-xylene 1700kg per ton of product. |
| autoignition temperature | 500°C |
Last Update：2024-04-09 21:04:16
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