Ethyl 3,4-dihydroxybenzoate
Ethyl 3,4-dihydroxybenzoate
CAS: 3943-89-3
Molecular Formula: C9H10O4
Ethyl 3,4-dihydroxybenzoate - Names and Identifiers
| Name | Ethyl 3,4-dihydroxybenzoate |
| Synonyms | RARECHEM AL BI 0069 ETHYL PROTOCATECHUATE Ethyl 3,4-dihydrobenzoate ETHYL 3,4-DIHYDROXYBENZOATE Ethyl 3,4-dihydroxybenzoate PROTOCATECHUIC ACID ETHYL ESTER 3,4-Dihydroxybenzoic acid ethyl ester 3,4-DIHYDROXYBENZOIC ACID ETHYL ESTER ETHYL 3,4-DIHYDROXYBENZOATE (PROTOCATECHUIC ACID ETHYL ESTER) |
| CAS | 3943-89-3 |
| EINECS | 223-529-0 |
| InChI | InChI=1/C9H10O4/c1-2-13-9(12)6-3-4-7(10)8(11)5-6/h3-5,10-11H,2H2,1H3 |
| InChIKey | KBPUBCVJHFXPOC-UHFFFAOYSA-N |
Ethyl 3,4-dihydroxybenzoate - Physico-chemical Properties
| Molecular Formula | C9H10O4 |
| Molar Mass | 182.17 |
| Density | 1.2481 (rough estimate) |
| Melting Point | 132-134°C(lit.) |
| Boling Point | 275.56°C (rough estimate) |
| Flash Point | 147°C |
| Water Solubility | Insoluble in water. Soluble in ethanol. |
| Vapor Presure | 0-9.4Pa at 20-120℃ |
| Appearance | Yellow powder |
| Color | Pale yellow to beige |
| BRN | 2097435 |
| pKa | 8.19±0.18(Predicted) |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | 1.4500 (estimate) |
| MDL | MFCD00002199 |
| Physical and Chemical Properties | White or light brown yellow crystalline powder. No odor or slightly phenol odor. The taste was slightly bitter. The melting point was 132-135 °c. Insoluble in water, soluble in ethanol. |
| Use | Used as food additives, pharmaceutical intermediates, etc |
Ethyl 3,4-dihydroxybenzoate - 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. S36 - Wear suitable protective clothing. S37/39 - Wear suitable gloves and eye/face protection |
| WGK Germany | 3 |
| HS Code | 29053990 |
| Hazard Note | Irritant |
Ethyl 3,4-dihydroxybenzoate - Reference
| Reference Show more | 1. Xu Guangjuan Lu Rong Yu Xiaotong et al. A new method for synthesis of 3 5-bis (pyridine-4-methoxy) benzoic acid [J]. Journal of Jilin Normal University (Natural Science Edition) 2019 40(01):91-94. |
Ethyl 3,4-dihydroxybenzoate - Reference Information
| LogP | 1.4 at 35℃ and pH6.6 |
| surface tension | 74.7mN/m at 1g/L and 20 ℃ |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| preparation | 15.4g(0.1mol) of 3, 4-dihydroxybenzoic acid and 200mL of anhydrous ethanol were added into a 500mL flask, and 5mL of concentrated sulfuric acid with 98% mass fraction was slowly added dropwise under constant stirring. The mixture was heated and refluxed, TLC followed the reaction, the 80% volume of solvent was evaporated under reduced pressure, diluted with 30mL of ethyl acetate and 25mL of water, the water layer was extracted with 300mL of ethyl acetate, the organic layer was combined, the organic layer was washed with saturated NaHCO3 aqueous solution and saturated salt water, anhydrous Na2SO4 was dried, filtered, dedissolved under reduced pressure to obtain 15.8g of ethyl 3, 4-dihydroxybenzoate with a yield of 86.8%. |
| identification test | solubility insoluble in water; Soluble in ethanol (0T-42). The melting range is 132~135 ℃. Measured by conventional methods. 0.5g of sample was dissolved in 10 ml of sodium hydroxide test solution (TS-224) and then distilled. Take 4ml of clear primary distillate, add equal volume of sodium hydroxide test solution and 2~3 drops of iodine test solution (TS-124), heat the solution, and release iodoform odor. Take 0.1g of sample dissolved in 5ml of ethanol, and add 1 drop of dilute ferric chloride test solution (TS-103), which should be green. The distillation residue in test 3 was acidified and the precipitate was recrystallized with a melting range of 190~194 ℃ (simultaneous decomposition). |
| use | antioxidant. Used as food additives, pharmaceutical intermediates, etc. |
| production method | is obtained by esterification of 3,4-dihydroxybenzoic acid and ethanol. |
Last Update：2024-04-09 21:11:58
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