Physicochemical Properties
| Molecular Formula | C10H8O4 |
| Molecular Weight | 192.17 |
| Exact Mass | 192.042 |
| CAS # | 38489-76-8 |
| PubChem CID | 643181 |
| Appearance | White to off-white solid powder |
| Density | 1.41 |
| Boiling Point | 361.5ºC at 760 mmHg |
| Flash Point | 148.9ºC |
| LogP | 1.513 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Heavy Atom Count | 14 |
| Complexity | 249 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)O |
| InChi Key | QFQYZMGOKIROEC-DUXPYHPUSA-N |
| InChi Code | InChI=1S/C10H8O4/c11-10(12)4-2-7-1-3-8-9(5-7)14-6-13-8/h1-5H,6H2,(H,11,12)/b4-2+ |
| Chemical Name | (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoic acid |
| HS Tariff Code | 2934.99.9001 |
| Storage |
Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: This product requires protection from light (avoid light exposure) during transportation and storage. |
| Shipping Condition | Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs) |
Biological Activity
| References |
[1]. Brombyins from the stem bark of Brombya platynema.Waterman.1993, 33(2), 479–482. |
| Additional Infomation |
Methylenedioxycinnamic acid is a hydroxycinnamic acid. 3,4-Methylenedioxycinnamic acid has been reported in Brombya platynema and Helichrysum arenarium with data available. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~50 mg/mL (~260.19 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1 mg/mL (5.20 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 10.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 5.2037 mL | 26.0186 mL | 52.0373 mL | |
| 5 mM | 1.0407 mL | 5.2037 mL | 10.4075 mL | |
| 10 mM | 0.5204 mL | 2.6019 mL | 5.2037 mL |