Physicochemical Properties
| Molecular Formula | C15H24 |
| Molecular Weight | 204.351 |
| Exact Mass | 204.188 |
| CAS # | 125037-13-0 |
| PubChem CID | 442368 |
| Appearance | Colorless to light yellow liquid(Density:0.877 g/cm3) |
| LogP | 5.201 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 6 |
| Heavy Atom Count | 15 |
| Complexity | 270 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | CC(=CCCC(=CCC=C(C)C=C)C)C |
| InChi Key | CXENHBSYCFFKJS-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9-10,12H,1,7-8,11H2,2-5H3 |
| Chemical Name | 3,7,11-trimethyldodeca-1,3,6,10-tetraene |
| 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
| Additional Infomation | 3,7,11-Trimethyldodeca-1,3,6,10-tetraene has been reported in Malus, Artemisia princeps, and other organisms with data available. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~41.67 mg/mL (~203.91 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (10.18 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 (10.18 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. 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 (10.18 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 | 4.8936 mL | 24.4678 mL | 48.9356 mL | |
| 5 mM | 0.9787 mL | 4.8936 mL | 9.7871 mL | |
| 10 mM | 0.4894 mL | 2.4468 mL | 4.8936 mL |