3,4-METHYLENDIOXYBENZOIC ACID
Piperonylic acid
CAS: 94-53-1
Molecular Formula: C8H6O4
3,4-METHYLENDIOXYBENZOIC ACID - Names and Identifiers
| Name | Piperonylic acid |
| Synonyms | PIPEROYLICACID Piperonylic acid RARECHEM AL BO 0210 3,4-METHYLENDIOXYBENZOIC ACID 3,4-Methylendioxy-benzoic acid 3,4-Methylenedioxybenzoic acid 3,4-(METHYLENEDIOXY)BENZOIC ACID 1,3-benzodioxole-5-carboxylic acid 1,3-BENZODIOXOLE-5-CARBOXYLIC ACID 3,4-(methylenedioxy)benzoic acid, piperonylic acid Piperonylic acid, (3,4-Methylenedioxybenzoic acid) 1-3-Benzodioxole-5-carboxylic acid~3,4-(Methylenedioxy)benzoic acid |
| CAS | 94-53-1 |
| EINECS | 202-342-8 |
| InChI | InChI=1/C8H6O4/c9-8(10)5-1-2-6-7(3-5)12-4-11-6/h1-3H,4H2,(H,9,10) |
3,4-METHYLENDIOXYBENZOIC ACID - Physico-chemical Properties
| Molecular Formula | C8H6O4 |
| Molar Mass | 166.13 |
| Density | 1.3579 (rough estimate) |
| Melting Point | 229-231 °C (lit.) |
| Boling Point | 254.32°C (rough estimate) |
| Flash Point | 139.6°C |
| Water Solubility | slightly soluble |
| Solubility | Ethanol |
| Vapor Presure | 9.95E-05mmHg at 25°C |
| Appearance | White to white-like powder |
| Color | Off-white to beige |
| Merck | 14,7477 |
| BRN | 150206 |
| pKa | 4.35±0.20(Predicted) |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | 1.5090 (estimate) |
| MDL | MFCD00005830 |
| Physical and Chemical Properties | White ribbed or needle-like crystals. Melting point 229 ℃. Slightly soluble in water, chloroform, cold ethanol, ether. |
3,4-METHYLENDIOXYBENZOIC ACID - Risk and Safety
| Risk Codes | R22 - Harmful if swallowed R37/38 - Irritating to respiratory system and skin. R41 - Risk of serious damage to eyes R36/37/38 - 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. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S37/39 - Wear suitable gloves and eye/face protection |
| WGK Germany | 3 |
| RTECS | DF4912765 |
| TSCA | Yes |
| HS Code | 29329970 |
| Hazard Note | Irritant |
3,4-METHYLENDIOXYBENZOIC ACID - Reference Information
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| biological activity | piperonic acid is a natural molecule with methylenedioxy function, mimicking the structure of trans-cinnamic acid. Piperonylic acid is a selective inactivator of trans-cinnamate 4-hydroxylase. |
| Use | organic synthesis intermediates. |
| production method | piperonal aldehyde was oxidized with potassium permanganate at 70-80 °c to obtain piperonyl acid in a yield of 90-96%. |
Last Update：2024-04-09 20:45:29
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