Name | 3-Hydroxy-4-methoxybenzoic acid |
Synonyms | AKOS 220-48 Isovanillic aci ISOVANILLIC ACID RARECHEM AL BE 0068 3-HYDROXYANISIC ACID 3-hydroxy-4-methoxybenzoate 3-hydroxy-4-methoxy-benzoicaci 4-METHOXY-3-HYDROXYBENZOIC ACID 3-Hydroxy-4-methoxybenzoic acid 3-HYDROXY-4-METHOXYBENZOIC ACID Benzoic acid, 3-hydroxy-4-methoxy- |
CAS | 645-08-9 |
EINECS | 211-430-5 |
InChI | InChI=1/C8H8O4/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,9H,1H3,(H,10,11)/p-1 |
Molecular Formula | C8H8O4 |
Molar Mass | 168.15 |
Density | 1.3037 (rough estimate) |
Melting Point | 250-253°C(lit.) |
Boling Point | 257.07°C (rough estimate) |
Flash Point | 145.2°C |
Solubility | DMSO:33 mg/mL (196.25 mM) |
Vapor Presure | 2.53E-05mmHg at 25°C |
Appearance | Light gray crystalline powder |
Color | Beige to gray-brown |
BRN | 2208365 |
pKa | 4.35±0.10(Predicted) |
Storage Condition | Inert atmosphere,Room Temperature |
Refractive Index | 1.5090 (estimate) |
MDL | MFCD00002507 |
Physical and Chemical Properties | Melting Point: 250 - 253 ℃
|
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 |
RTECS | BZ4850000 |
HS Code | 29189900 |
Hazard Class | IRRITANT |
Reference Show more | 1. [IF=4.411] Mengyuan Gao et al."Correlation between Quality and Geographical Origins of Cortex Periplocae, Based on the Qualitative and Quantitative Determination of Chemical Markers Combined with Chemical Pattern Recognition."Molecules. 2019 Jan;24(19):3621 2. [IF=7.514] Jie Meng et al."Conduction of a chemical structure-guided metabolic phenotype analysis method targeting phenylpropane pathway via LC-MS: Ginkgo biloba and soybean as examples."FOOD CHEMISTRY. 2022 Oct;390:133155 |
NIST chemical information | information provided by: webbook.nist.gov (external link) |
Introduction | 3-hydroxy-4-methoxybenzoic acid is a carboxylic acid derivative, which can be used as a reference for traditional Chinese medicine. |
biological activity | Isovanillic acid (3-Hydroxy-4-methoxybenzoic acid) is obtained from S. A phenolic acid compound isolated from frutescens that has anti-inflammatory activity. |
Use | isosamichenic acid has antibacterial, heat-clearing and detoxifying effects. |
production method | by heating protocatechuic acid (3, 4-dihydroxybenzoic acid) with methyl iodide and potassium hydroxide in a closed tube, the obtained methyl isovanilloid is prepared by saponification. |