Benzoic acid, 4-acetyl-
4-Acetylbenzoic acid
CAS: 586-89-0
Molecular Formula: C9H8O3
Benzoic acid, 4-acetyl- - Names and Identifiers
| Name | 4-Acetylbenzoic acid |
| Synonyms | 4-acetylbenzoate 4-Acetylbenzoic acid 4-Acetylbenzoci acid 4-acetylbenzonic acid p-Carboxyacetophenone Benzoic acid, 4-acetyl- 4-(1-Oxoethyl)benzoic acid Acetophenone-4-carboxylic acid Aectophenone-4-carboxylic acid |
| CAS | 586-89-0 |
| EINECS | 209-588-5 |
| InChI | InChI=1/C9H8O3/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-5H,1H3,(H,11,12)/p-1 |
| InChIKey | QBHDSQZASIBAAI-UHFFFAOYSA-N |
Benzoic acid, 4-acetyl- - Physico-chemical Properties
| Molecular Formula | C9H8O3 |
| Molar Mass | 164.16 |
| Density | 1.2132 (rough estimate) |
| Melting Point | 208-210°C(lit.) |
| Boling Point | 251.61°C (rough estimate) |
| Flash Point | 173.6°C |
| Water Solubility | soluble |
| Solubility | DMSO (Slightly), Methanol (Slightly) |
| Vapor Presure | 3.45E-05mmHg at 25°C |
| Appearance | White to bright yellow crystals |
| Color | White |
| BRN | 2207355 |
| pKa | pK1: 3.70 (25°C) |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | 1.5380 (estimate) |
| MDL | MFCD00002561 |
Benzoic acid, 4-acetyl- - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | R36/37/38 - Irritating to eyes, respiratory system and skin. R37/38 - Irritating to respiratory system and skin. R36 - Irritating to the eyes |
| Safety Description | S37/39 - Wear suitable gloves and eye/face protection S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. S24/25 - Avoid contact with skin and eyes. |
| WGK Germany | 3 |
| HS Code | 29183000 |
Benzoic acid, 4-acetyl- - Reference Information
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| Use | 4-acetylbenzoic acid is an intermediate for the preparation of curcumin analogs with antioxidant activity. It is also used in the synthesis of quinulidine benzamide as an agonist of the α7 nicotinic acetylcholine receptor. |
| Application | synthesis of new drug intermediate N-methyl -2-(4-acetyl-5-nitrobenzimidazole, benzimidazole and its derivatives are the active ingredients of many new drugs. Such as cremazole antihistamine drugs, ethoxazole hydrochloride, strong analgesics, benzyl chloride plus imidazole, spasmolytics and antifungal drugs belong to this class of derivatives, its synthesis has certain theoretical significance and strong practical value. |
| preparation method | (1) oxidation, add P-methyl acetophenone, water and anhydrous zinc chloride to the reaction pot, stir evenly, slowly raise the temperature to 35~40 ℃, divide the potassium permanganate into five equal parts, add one part every 15~20 minutes, feed control reaction temperature 48~55 ℃, after feeding, the reaction temperature was controlled at 40~45 ℃ for 1.5 hours, then the temperature was cooled to 17~22 ℃, centrifuged and dried to obtain crude 4-acetylbenzoic acid.(2) the prepared crude product is mixed with anhydrous acetic acid, heated under reflux for 0.5-1.5 hours, filtered while hot, centrifuged and dried to obtain 4-acetylbenzoic acid. |
Last Update：2024-04-09 21:01:54
Supplier List
Spot supply
Product Name: 4-Acetylbenzoic acid Request for quotationCAS: 586-89-0
Tel: +86-17551318830
Email: r@reformchem.com
Mobile: +86-17551318830
QQ: 3787852685
Spot supply
Product Name: 4-Acetylbenzoic acid Request for quotationCAS: 586-89-0
Tel: 17505222756
Email: pules.cn@gmail.com
Mobile: +86-17551318830
Wechat: 17505222756
Product Name: 4-Acetylbenzoic Acid Visit Supplier Webpage Request for quotation
CAS: 586-89-0
Tel: 18301782025
Email: 3008007409@qq.com
Mobile: 18021002903
QQ: 3008007409
Wechat: 18301782025
CAS: 586-89-0
Tel: 18301782025
Email: 3008007409@qq.com
Mobile: 18021002903
QQ: 3008007409
Wechat: 18301782025
Spot supply
Product Name: 4-Acetylbenzoic acid Request for quotationCAS: 586-89-0
Tel: +86-17551318830
Email: r@reformchem.com
Mobile: +86-17551318830
QQ: 3787852685
Spot supply
Product Name: 4-Acetylbenzoic acid Request for quotationCAS: 586-89-0
Tel: 17505222756
Email: pules.cn@gmail.com
Mobile: +86-17551318830
Wechat: 17505222756
Product Name: 4-Acetylbenzoic Acid Visit Supplier Webpage Request for quotation
CAS: 586-89-0
Tel: 18301782025
Email: 3008007409@qq.com
Mobile: 18021002903
QQ: 3008007409
Wechat: 18301782025
CAS: 586-89-0
Tel: 18301782025
Email: 3008007409@qq.com
Mobile: 18021002903
QQ: 3008007409
Wechat: 18301782025
View History