Physicochemical Properties
| Molecular Formula | C5H10O |
| Molecular Weight | 86.13 |
| Exact Mass | 86.073 |
| CAS # | 556-82-1 |
| PubChem CID | 11173 |
| Appearance | Colorless to light yellow liquid |
| Density | 0.848 |
| Boiling Point | 140 ºC |
| Melting Point | -86ºC |
| Flash Point | 43 ºC |
| Vapour Pressure | 2.4±0.6 mmHg at 25°C |
| Index of Refraction | 1.442-1.444 |
| LogP | 1.24 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Heavy Atom Count | 6 |
| Complexity | 51 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | CC(=CCO)C |
| InChi Key | ASUAYTHWZCLXAN-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C5H10O/c1-5(2)3-4-6/h3,6H,4H2,1-2H3 |
| Chemical Name | 3-methylbut-2-en-1-ol |
| 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]. Acid-catalyzed heterogeneous reaction of 3-methyl-2-buten-1-ol with hydrogen peroxide. Journal of Environmental Sciences, 2015, 31: 89-97. |
| Additional Infomation |
Prenol is an alkenyl alcohol and a member of prenols. 3-Methyl-2-buten-1-OL has been reported in Angelica gigas, Rhodiola crenulata, and other organisms with data available. |
Solubility Data
| Solubility (In Vitro) | DMSO: ≥ 100 mg/mL (1161.04 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (29.03 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 (29.03 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 (29.03 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 | 11.6104 mL | 58.0518 mL | 116.1036 mL | |
| 5 mM | 2.3221 mL | 11.6104 mL | 23.2207 mL | |
| 10 mM | 1.1610 mL | 5.8052 mL | 11.6104 mL |