Physicochemical Properties
| Molecular Formula | C9H6O3 |
| Molecular Weight | 162.14214 |
| Exact Mass | 162.031 |
| CAS # | 6093-68-1 |
| PubChem CID | 99477 |
| Appearance | Light yellow to green yellow solid powder |
| Density | 1.4±0.1 g/cm3 |
| Boiling Point | 398.2±37.0 °C at 760 mmHg |
| Melting Point | 249-253 °C(lit.) |
| Flash Point | 189.6±19.3 °C |
| Vapour Pressure | 0.0±1.0 mmHg at 25°C |
| Index of Refraction | 1.640 |
| LogP | 0.65 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Heavy Atom Count | 12 |
| Complexity | 222 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | CJIJXIFQYOPWTF-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C9H6O3/c10-7-2-3-8-6(5-7)1-4-9(11)12-8/h1-5,10H |
| Chemical Name | 6-hydroxychromen-2-one |
| 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: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture. |
| 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]. Isolation, cytotoxicity evaluation and HPLC-quantification of the chemical constituents from Prangos pabularia. PLoS One. 2014 Oct 14;9(10):e108713. |
| Additional Infomation | 6-Hydroxycoumarin has been reported in Grevillea robusta and Amburana cearensis with data available. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~250 mg/mL (~1541.88 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (12.83 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 20.8 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: ≥ 2.08 mg/mL (12.83 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 20.8 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: ≥ 2.08 mg/mL (12.83 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 20.8 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 | 6.1675 mL | 30.8375 mL | 61.6751 mL | |
| 5 mM | 1.2335 mL | 6.1675 mL | 12.3350 mL | |
| 10 mM | 0.6168 mL | 3.0838 mL | 6.1675 mL |