3,4,5-TRIMETHOXYBENZOIC ACID FOR SYNTHES
3,4,5-Trimethoxybenzoic acid
CAS: 118-41-2
Molecular Formula: C10H12O5
3,4,5-TRIMETHOXYBENZOIC ACID FOR SYNTHES - Names and Identifiers
| Name | 3,4,5-Trimethoxybenzoic acid |
| Synonyms | NSC 2525 3,4,5-trimethoxybenzoate 5-TriMethoxybenzoic acid Gallic acid trimethyl ether 3,4,5-Trimethoxybenzoic acid 3,4,5-trimethoxy benzoic acid 3,4,5-TRIMETHOXYBENZOIC ACID FOR SYNTHES Gallic acid trimethyl ether, Trimethylgallic acid |
| CAS | 118-41-2 |
| EINECS | 204-248-2 |
| InChI | InChI=1/C10H12O5/c1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3/h4-5H,1-3H3,(H,11,12)/p-1 |
| InChIKey | SJSOFNCYXJUNBT-UHFFFAOYSA-N |
3,4,5-TRIMETHOXYBENZOIC ACID FOR SYNTHES - Physico-chemical Properties
| Molecular Formula | C10H12O5 |
| Molar Mass | 212.2 |
| Density | 1.3006 (rough estimate) |
| Melting Point | 168-171 °C (lit.) |
| Boling Point | 225-227 °C/10 mmHg (lit.) |
| Flash Point | 225-226°C/10mm |
| Water Solubility | SLIGHTLY SOLUBLE |
| Solubility | Soluble in ethanol, ether and chloroform, slightly soluble in water |
| Vapor Presure | 2.49E-06mmHg at 25°C |
| Appearance | White monoclinic crystal |
| Color | Clear colorless to yellow |
| BRN | 884655 |
| pKa | 4.23±0.10(Predicted) |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | 1.5140 (estimate) |
| MDL | MFCD00002501 |
| Physical and Chemical Properties | The character of water Crystal is white monoclinic crystal. Melting Point: 171~172 ℃ Boiling Point: 225~227 ℃ solubility: slightly soluble in water, soluble in ethanol, ether and chloroform. |
| Use | Used as pharmaceutical, organic synthesis intermediates |
3,4,5-TRIMETHOXYBENZOIC ACID FOR SYNTHES - Risk and Safety
| Risk Codes | R36/37/38 - Irritating to eyes, respiratory system and skin. R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. |
| WGK Germany | 1 |
| TSCA | Yes |
| HS Code | 29189090 |
| Hazard Note | Irritant |
3,4,5-TRIMETHOXYBENZOIC ACID FOR SYNTHES - Nature
Open Data Verified Data
crystals in water are white monoclinic crystals. Slightly soluble in water, soluble in ethanol, ether and chloroform. The melting point was 171-172 °c. Boiling Point (1. 33kPa) 225~22 7 ℃.
Last Update：2024-01-02 23:10:35
3,4,5-TRIMETHOXYBENZOIC ACID FOR SYNTHES - Preparation Method
Open Data Verified Data
The methoxylation reaction of Gallic acid and dimethyl sulfate is carried out to produce 3,4,5 trimethoxybenzoic acid, which is neutralized, filtered and washed to obtain a fine product.
Last Update：2022-01-01 10:43:16
3,4,5-TRIMETHOXYBENZOIC ACID FOR SYNTHES - Use
Open Data Verified Data
intermediates in organic synthesis.
Last Update：2022-01-01 10:43:15
3,4,5-TRIMETHOXYBENZOIC ACID FOR SYNTHES - Safety
Open Data Verified Data
-
Toxicity was unknown. See gallic acid.
- The packaging is packaged in paper barrels lined with plastic bags, 50kg per barrel.
Last Update：2022-01-01 10:43:16
3,4,5-TRIMETHOXYBENZOIC ACID FOR SYNTHES - Reference Information
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| introduction | 3,4, 5-trimethoxybenzoic acid is an important fine chemical product or pharmaceutical intermediate, which is widely used in the fields of medicine, dye, food and fine chemical industry. |
| uses | metabolites of 3,4, 5-trimethoxybenzoate trimebutine, which can be used as a reference substance for trimebutine impurity standard substance, used in laboratory organic synthesis and chemical medicine research and development process. Used as an intermediate in medicine and organic synthesis An intermediate in organic synthesis. Used for the production of antibacterial synergistic drug trimethoprim, anti-anxiety drug trimethoxine. |
| production method | gallic acid undergoes methoxylation reaction with dimethyl sulfate to generate 3,4, 5-trimethoxybenzoic acid, which is neutralized, filtered and washed to obtain excellent products. |
Last Update：2024-04-09 20:45:29
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