4-Ethylbenzoic acid CAS 619-64-7
Introduction：Basic information about 4-Ethylbenzoic acid CAS 619-64-7, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
4-Ethylbenzoic acid Basic information
| Product Name: | 4-Ethylbenzoic acid |
| Synonyms: | RARECHEM AL BO 1281;P-ETHYLBENZOIC ACID;The ethyl benzoate;Benzoic acid, p-ethyl-;4-Ethylbenzoic acid 99%;4-ethylbenzoate;Benzoic acid, 4-ethyl-;4-EthylbenzoicAcid97% |
| CAS: | 619-64-7 |
| MF: | C9H10O2 |
| MW: | 150.17 |
| EINECS: | 210-605-3 |
| Product Categories: | C9;Carbonyl Compounds;CARBOXYLICACID;FINE Chemical & INTERMEDIATES;Liquid Crystal intermediates;Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts;Carboxylic Acids;Phenyls & Phenyl-Het;Benzoic Acids (Building Blocks for Liquid Crystals);Building Blocks for Liquid Crystals;Functional Materials;Carboxylic Acids;Phenyls & Phenyl-Het;Liqiud crystal intermediates |
| Mol File: | 619-64-7.mol |
4-Ethylbenzoic acid Chemical Properties
| Melting point | 112-113 °C(lit.) |
| Boiling point | 271.51°C (estimate) |
| density | 1.0937 (estimate) |
| refractive index | 1.5188 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | Chloroform (Sparingly), Methanol (Slightly) |
| pka | pK1:4.35 (25°C) |
| form | Powder |
| color | White to beige |
| BRN | 2041840 |
| InChI | InChI=1S/C9H10O2/c1-2-7-3-5-8(6-4-7)9(10)11/h3-6H,2H2,1H3,(H,10,11) |
| InChIKey | ZQVKTHRQIXSMGY-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C1=CC=C(CC)C=C1 |
| CAS DataBase Reference | 619-64-7(CAS DataBase Reference) |
| NIST Chemistry Reference | 4-Ethylbenzoic acid(619-64-7) |
| EPA Substance Registry System | Benzoic acid, 4-ethyl- (619-64-7) |
Safety Information
| Hazard Codes | Xn,Xi |
| Risk Statements | 22-36/37 |
| Safety Statements | 22-24/25-37/39-26 |
| WGK Germany | 3 |
| Hazard Note | Irritant |
| HS Code | 29163900 |
| Storage Class | 11 - Combustible Solids |
| Chemical Properties | It is a white to beige powder with a melting point of 112-113℃. It is not soluble in water, but can be dissolved in benzene and toluene. |
| Uses | 4-Ethylbenzoic acid was used in the synthesis of ethyl 4-vinyl-α-cyano-β-phenylcinnamate. It was also used to functionalize the edge of “pristine” graphite in the presence of polyphosphoric acid/phosphorus pentoxide. |
| Definition | ChEBI: 4-Ethylbenzoic acid is a member of benzoic acids. |
| Application | 4-Ethylbenzoic acid has various applications such as being used as an intermediate in the production of pesticide insecticides, including tebufenozide and methoxyfenozide, as well as an initiator of carbon nanotube materials. Additionally, it can also use as an intermediate in the production of liquid crystals. |
| Preparation | The preparation of 4-ethylbenzoic acid can be done in the following steps: 1. Add ethylbenzene and trichloroacetaldehyde in the reaction kettle. 2. Add anhydrous aluminum trichloride in batches at 0 °C. 3. Stir and react at -10 ~ 0 °C for 2 hours after the addition. 4. Add dilute hydrochloric acid to the mixed solution to decompose the remaining aluminum trichloride. 5. Wash with NaHCO3 and water. 6. Distill the organic layer to recover ethylbenzene. 7. Distill to obtain p-ethylbenzene-2,2,2-trichloroethanol. 8. Dissolve the trichloroethanol in methanol. 9. Add NaOH solution and stir. 10. Add dropwise 30% hydrogen peroxide aqueous solution to the mixture. 11. Stir until the trichloroethanol disappears. 12. Acidify with HCl to obtain crystalline 4-ethylbenzoic acid. |
| General Description | 4-Ethylbenzoic acid reacts with lanthanum nitrate in aqueous solution to yield the polymer catena-poly[[aqua(4-ethylbenzoic acid-κO)lanthanum(III)]-tri-μ-4-ethylbenzoato]. |
4-Ethylbenzoic acid Preparation Products And Raw materials
| Raw materials | Aluminum chloride-->Acetyl chloride-->Oxygen-->Chloral-->Ethylbenzene-->Trichloroethanol |
| Preparation Products | 4-Ethylbenzoyl chloride-->Tebufenozide |
