OXO(PHENYL)ACETIC ACID
Benzoylformic acid
CAS: 611-73-4
Molecular Formula: C8H6O3
OXO(PHENYL)ACETIC ACID - Names and Identifiers
| Name | Benzoylformic acid |
| Synonyms | Benzoylformate Benzoylformicacid Benzoylformic acid RARECHEM AL BO 0070 PHENYLGLYOXYLIC ACID Phenylglyoxylic acid Benzoyl formoic acid OXO(PHENYL)ACETIC ACID oxo(phenyl)acetic acid 2-Oxo-2-phenylacetic acid Benzeneacetic acid, a-oxo- alpha-Ketophenylacetic acid |
| CAS | 611-73-4 |
| EINECS | 210-278-7 |
| InChI | InChI=1/C8H6O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5H,(H,10,11) |
| InChIKey | FAQJJMHZNSSFSM-UHFFFAOYSA-N |
OXO(PHENYL)ACETIC ACID - Physico-chemical Properties
| Molecular Formula | C8H6O3 |
| Molar Mass | 150.13 |
| Density | 1.38 |
| Melting Point | 62-65°C(lit.) |
| Boling Point | 84°C0.1mm Hg |
| Flash Point | 147-151°C/12mm |
| Water Solubility | very faint turbidity |
| Solubility | methanol: 0.1g/mL, clear |
| Vapor Presure | 0.00697mmHg at 25°C |
| Appearance | Colorless crystal |
| Color | White to light yellow |
| BRN | 606718 |
| pKa | 2.15±0.54(Predicted) |
| Storage Condition | Keep in dark place,Inert atmosphere,Room temperature |
| Sensitive | sensitive to air |
| Refractive Index | 1.4500 (estimate) |
| MDL | MFCD00002575 |
| Physical and Chemical Properties | Colorless crystals. Melting Point 66 C, boiling point 147.5 C (1.6kPa), distillation decomposition under atmospheric pressure. Carbon tetrachloride soluble in water, acid, ether and heat |
| Use | Intermediates in fine chemicals. |
OXO(PHENYL)ACETIC ACID - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S28 - After contact with skin, wash immediately with plenty of soap-suds. S36 - Wear suitable protective clothing. S28A - S24 - Avoid contact with skin. S22 - Do not breathe dust. S37 - Wear suitable gloves. |
| WGK Germany | 3 |
| RTECS | DA1480000 |
| HS Code | 29183000 |
| Toxicity | LD50 ivn-mus: 180 mg/kg CSLNX* NX#04110 |
OXO(PHENYL)ACETIC ACID - Upstream Downstream Industry
| Raw Materials | Benzoyl cyanide |
OXO(PHENYL)ACETIC ACID - Introduction
Distillation and decomposition under normal pressure, it can be dissolved in water, acid, ether and hot carbon tetrachloride.
Last Update：2022-10-16 17:27:04
OXO(PHENYL)ACETIC ACID - Reference Information
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| Introduction | Benzoylformic acid (Benzoylformic acid), also known as acetophenone acid (phenyl glycolic acid), is a colorless crystal, melting Point 66 ℃, boiling point 147 ℃/1.6kPa, soluble in water, alcohol, ether, Ester and hot carbon tetrachloride. Can be used to synthesize a variety of medicines and pesticides. In recent years, it has been found that it can be used as a sensitizer for fluorescent materials and a catalyst for organic oxidation reaction by complexing with metal elements, which has attracted more attention and is a promising organic synthesis intermediate. |
| preparation | in aqueous solution, using sodium dichromate-sulfuric acid as oxidant, mandelic acid is oxidized to benzoyl formic acid: Process Flow: the mandelic acid is put into the reaction kettle, and the metered water is added, stirred and dissolved, and then cooled. The temperature of the material is controlled to be below 10 ° C. And the prepared sodium dichromate-dilute sulfuric acid solution is added dropwise, and the reaction is maintained for 1 hour after dropping. Subsequently, the mixture was adjusted to pH = 2 to 3 with liquid alkali, and then allowed to stand to precipitate benzoic acid crystals, which were then removed by Suction filtration. The filtrate was extracted twice with ethyl acetate. The extracts were combined and dissolved in vacuum to obtain crude product. With activated carbon decolorization, carbon tetrachloride recrystallization, refined products, the content of 98%, the yield of 70%. This method has the advantages of simple process and good product quality. It is the main production method of benzoyl formic acid in China at present. But the raw material mandelic acid used in this method is more expensive, and the production wastewater is also more. In order to improve the yield and reduce the waste water, the process is improved to esterify Mandelic Acid first, and then oxidize the mixed solution of sodium chromate-sulfuric acid Dropwise under the catalysis of ferrous sulfate to obtain benzoyl formate. The yield can reach 85% after improvement, and the amount of wastewater is also greatly reduced. |
| biological activity | phenylglyxyacid (benzol mate, phenylglyoxic acid, phenylglyxylate) in the field of chemical synthesis is an important structural unit, is widely used in the synthesis of drug intermediates or food additives. |
| Use | intermediate of fine chemicals. used as a pharmaceutical intermediate. |
| production method | is obtained by hydrolysis of benzoyl cyanide with concentrated hydrochloric acid. |
Last Update：2024-04-09 02:00:10
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Raw Materials for OXO(PHENYL)ACETIC ACID