Benzoic acid, o-ethoxy- (8CI)
2-Ethoxybenzoic acid
CAS: 134-11-2
Molecular Formula: C9H10O3
Benzoic acid, o-ethoxy- (8CI) - Names and Identifiers
| Name | 2-Ethoxybenzoic acid |
| Synonyms | AI3-06193 NSC 406710 RARECHEM AL BO 0030 2-ethoxy-benzoicaci 2-Ethoxybenzoic acid o-Ethoxybenzoic acid O-ETHOXYBENZOIC ACID 2-ETHOXYBENZOIC ACID Benzoic acid, o-ethoxy- Benzoic acid, 2-ethoxy- ortho-Ethoxybenzoic acid Benzoic acid, o-ethoxy- (8CI) |
| CAS | 134-11-2 |
| EINECS | 205-130-3 |
| InChI | InChI=1/C9H10O3/c1-2-12-8-6-4-3-5-7(8)9(10)11/h3-6H,2H2,1H3,(H,10,11) |
Benzoic acid, o-ethoxy- (8CI) - Physico-chemical Properties
| Molecular Formula | C9H10O3 |
| Molar Mass | 166.17 |
| Density | 1.105 g/mL at 25 °C (lit.) |
| Melting Point | 19.3-19.5 °C (lit.) |
| Boling Point | 174-176 °C/15 mmHg (lit.) |
| Flash Point | >230°F |
| Water Solubility | Soluble in water. |
| Solubility | 95% ethanol: soluble5%, clear, colorless to yellow |
| Vapor Presure | 0.281Pa at 25℃ |
| Appearance | Transparent liquid |
| Specific Gravity | 1.105 |
| Color | White or Colorless to Light yellow to Light orange |
| BRN | 2691039 |
| pKa | pK1:4.21 (20°C) |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | n20/D 1.54(lit.) |
| MDL | MFCD00002438 |
| Physical and Chemical Properties | Density 1.1 melting point 19.3-19.5°C boiling point 174-176°C (15 torr) refractive index 1.539-1.541 |
| Use | Used in pharmaceutical intermediates, also used in organic synthesis |
Benzoic acid, o-ethoxy- (8CI) - Risk and Safety
| Risk Codes | R36/37/38 - Irritating to eyes, respiratory system and skin. R26 - Very Toxic by inhalation R22 - Harmful if swallowed |
| Safety Description | S23 - Do not breathe vapour. S24/25 - Avoid contact with skin and eyes. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S36/37 - Wear suitable protective clothing and gloves. S28 - After contact with skin, wash immediately with plenty of soap-suds. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. |
| WGK Germany | 3 |
| TSCA | Yes |
| HS Code | 29189900 |
| Hazard Class | IRRITANT |
Benzoic acid, o-ethoxy- (8CI) - Reference Information
| LogP | 1.295 at 25℃ |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| use | used in pharmaceutical intermediates and organic synthesis. Used in pharmaceutical intermediates and organic synthesis |
| Production method | Methyl o-oxybenzoate is synthesized from methyl salicylate ([119-36-8]) and iodoethane, and then obtained by hydrolysis and acidification. Sodium metal, methyl salicylate and ethane iodide were successively added into anhydrous methanol and heated and refluxed for 10h. After recovering methanol and iodized ethane, pour it into cold water and divide the oil. Wash with water and 5% sodium hydroxide solution to pH = 7, extract with ether, dry with anhydrous sodium carbonate, reflux ether, and then distill under reduced pressure to obtain methyl o-ethoxybenzoate. Add it to 5% sodium hydroxide solution for reflux for 2-3h, cool, and extract unreacted ester with ether. The extracted aqueous solution was acidified with hydrochloric acid, and the oil layer was washed with water. Add 5% sodium hydroxide to dissolve, filter and acidify with hydrochloric acid to the oil layer, freeze and crystallize to produce crude products. The acidified water layer can be extracted with ether, and a part of the crude product can also be obtained. The crude product is distilled under reduced pressure to obtain the finished o-ethoxybenzoic acid. |
Last Update：2024-04-09 15:16:47
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