Physicochemical Properties
| Molecular Formula | C10H10O3 |
| Molecular Weight | 178.18 |
| Exact Mass | 178.062 |
| CAS # | 943-89-5 |
| Related CAS # | 7340-42-3 (hydrochloride salt) |
| PubChem CID | 699414 |
| Appearance | White to off-white solid powder |
| Density | 1.2±0.1 g/cm3 |
| Boiling Point | 342.6±17.0 °C at 760 mmHg |
| Melting Point | 173.5ºC |
| Flash Point | 138.6±14.4 °C |
| Vapour Pressure | 0.0±0.8 mmHg at 25°C |
| Index of Refraction | 1.591 |
| LogP | 2.36 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Heavy Atom Count | 13 |
| Complexity | 190 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | COC1=CC=C(C=C1)/C=C/C(=O)O |
| InChi Key | AFDXODALSZRGIH-QPJJXVBHSA-N |
| InChi Code | InChI=1S/C10H10O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-4+ |
| Chemical Name | (E)-3-(4-methoxyphenyl)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 |
| 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]. Uncommon secondary metabolites from Etlingera pavieana rhizomes. Nat Prod Res. 2016 Oct;30(19):2215-9. |
| Additional Infomation |
4-methoxycinnamic acid is a methoxycinnamic acid having a single methoxy substituent at the 4-position on the phenyl ring. It is functionally related to a cinnamic acid. 4-Methoxycinnamic acid has been reported in Baccharis subdentata, Scrophularia buergeriana, and other organisms with data available. See also: 4-Methoxycinnamic acid (annotation moved to). |
Solubility Data
| Solubility (In Vitro) | DMSO: 100 mg/mL (561.23 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (14.03 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (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 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (14.03 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (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 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C,1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 3: ≥ 2.5 mg/mL (14.03 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 25.0 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 | 5.6123 mL | 28.0615 mL | 56.1230 mL | |
| 5 mM | 1.1225 mL | 5.6123 mL | 11.2246 mL | |
| 10 mM | 0.5612 mL | 2.8062 mL | 5.6123 mL |