|
|
| | 2,4,6-Trimethylbenzoic acid Basic information |
| Product Name: | 2,4,6-Trimethylbenzoic acid | | Synonyms: | TMBA;RARECHEM AL BO 0328;2,4,6-trimethyl-benzoicaci;Benzoicacid,2,4,6-trimethyl-;beta-Isodurylic acid;beta-isodurylicacid;2,4,6-TRIMETHYLBENZOIC ACID;2-MESITYLENECARBOXYLIC ACID | | CAS: | 480-63-7 | | MF: | C10H12O2 | | MW: | 164.2 | | EINECS: | 207-553-9 | | Product Categories: | Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts;Organic acids;API intermediates | | Mol File: | 480-63-7.mol |  |
| | 2,4,6-Trimethylbenzoic acid Chemical Properties |
| Melting point | 152-155 °C (lit.) | | Boiling point | 288.61°C (estimate) | | density | 1.0670 (estimate) | | refractive index | 1.5198 (estimate) | | storage temp. | Sealed in dry,Room Temperature | | solubility | Chlorform (Slightly), Methanol (Slightly) | | form | Solid | | pka | pK1:3.448 (25°C) | | color | White to Off-White | | Water Solubility | 722.5mg/L(temperature not stated) | | BRN | 1866187 | | InChIKey | FFFIRKXTFQCCKJ-UHFFFAOYSA-N | | CAS DataBase Reference | 480-63-7(CAS DataBase Reference) | | NIST Chemistry Reference | Benzoic acid, 2,4,6-trimethyl-(480-63-7) | | EPA Substance Registry System | 2,4,6-Trimethylbenzoic acid (480-63-7) |
| Hazard Codes | Xn | | Risk Statements | 20/21/22 | | Safety Statements | 22-24/25-36 | | WGK Germany | 3 | | RTECS | DI0887010 | | TSCA | Yes | | HS Code | 29163900 |
| | 2,4,6-Trimethylbenzoic acid Usage And Synthesis |
| Chemical Properties | white to almost white crystalline powder | | Uses | Mesitoic acid can be used for its antioxidant. | | Definition | ChEBI: A trimethylbenzoic acid in which the three methyl substituents are located at positions 2, 4 and 6. | | Synthesis Reference(s) | Journal of the American Chemical Society, 96, p. 590, 1974 DOI: 10.1021/ja00809a049
Organic Syntheses, Coll. Vol. 3, p. 553, 1955
Tetrahedron Letters, 11, p. 4459, 1970 | | Purification Methods | Crystallise mesitoic acid from water, ligroin or carbon tetrachloride [Ohwada et al. J Am Chem Soc 108 3029 1986]. [Beilstein 9 H 553, 9 I 214, 9 II 360, 9 III 2489, 9 IV 1854.] |
| | 2,4,6-Trimethylbenzoic acid Preparation Products And Raw materials |
| Raw materials | Methanesulfonic acid, 1,1,1-trifluoro-, 2,4,6-trimethylphenyl ester-->2,4,6-TRIMETHYLBENZENEBORONIC ACID NEOPENTYL GLYCOL CYCLIC ESTER-->Methyl 2,4,6-trimethylbenzoate-->SodiuM 2,4,6-triMethylbenzenesulfinate-->Mesitylene-->2,4,6-TRIMETHYLPHENYLMAGNESIUM BROMIDE-->Formic acid-->2,4,6-Trimethylbenzyl alcohol-->Trichloroacetyl chloride-->2',4',6'-TRIMETHYLACETOPHENONE-->Mesitaldehyde-->Carbon dioxide-->3,4,5-TRIMETHYLBENZOIC ACID | | Preparation Products | 2,4,6-Trimethylbenzoyl chloride-->γ-Hydroxybutyrophenone-->Ethyl 2,4,6-trimethylbenzoate |
|