Physicochemical Properties
| Molecular Formula | C8H8O |
| Molecular Weight | 120.1485 |
| Exact Mass | 120.057 |
| CAS # | 496-16-2 |
| PubChem CID | 10329 |
| Appearance | Colorless to light yellow liquid |
| Density | 1.1±0.1 g/cm3 |
| Boiling Point | 188.2±10.0 °C at 760 mmHg |
| Melting Point | -21°C |
| Flash Point | 66.7±0.0 °C |
| Vapour Pressure | 0.8±0.3 mmHg at 25°C |
| Index of Refraction | 1.560 |
| LogP | 2.14 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Heavy Atom Count | 9 |
| Complexity | 101 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | O1C2=C([H])C([H])=C([H])C([H])=C2C([H])([H])C1([H])[H] |
| InChi Key | HBEDSQVIWPRPAY-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C8H8O/c1-2-4-8-7(3-1)5-6-9-8/h1-4H,5-6H2 |
| Chemical Name | 2,3-dihydro-1-benzofuran |
| 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]. Acetylcholinesterase Inhibition by Biofumigant (Coumaran) From Leaves of Lantana Camara in Stored Grain and Household Insect Pests. Biomed Res Int. 2014;2014:187019. [2]. In Vitro Effects of the Neolignan 2,3-Dihydrobenzofuran Against Leishmania Amazonensis. Basic Clin Pharmacol Toxicol. 2017 Jan;120(1):52-58. |
| Additional Infomation |
2,3-dihydrobenzofuran is a member of the class of 1-benzofurans that is the 2,3-dihydroderivative of benzofuran. It has a role as a metabolite. 2,3-Dihydrobenzofuran has been reported in Trigonella foenum-graecum, Xylaria, and other organisms with data available. |
Solubility Data
| Solubility (In Vitro) |
H2O : ~150 mg/mL (~1248.44 mM) DMSO : ~150 mg/mL (~1248.44 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 3.75 mg/mL (31.21 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 37.5 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: ≥ 3.75 mg/mL (31.21 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 37.5 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: ≥ 3.75 mg/mL (31.21 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 37.5 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. Solubility in Formulation 4: 100 mg/mL (832.29 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with ultrasonication. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 8.3229 mL | 41.6146 mL | 83.2293 mL | |
| 5 mM | 1.6646 mL | 8.3229 mL | 16.6459 mL | |
| 10 mM | 0.8323 mL | 4.1615 mL | 8.3229 mL |