Physicochemical Properties
| Molecular Formula | C4H10O2 |
| Molecular Weight | 90.121 |
| Exact Mass | 90.068 |
| CAS # | 6290-03-5 |
| Related CAS # | 1,3-Butanediol;107-88-0 |
| PubChem CID | 637497 |
| Appearance | Colorless to light yellow liquid |
| Density | 1.005 |
| Boiling Point | 207.0±0.0 °C at 760 mmHg |
| Melting Point | 0ºC |
| Flash Point | 108 ºC |
| Vapour Pressure | 0.1±0.8 mmHg at 25°C |
| Index of Refraction | 1.438 |
| LogP | -0.69 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Heavy Atom Count | 6 |
| Complexity | 28.7 |
| Defined Atom Stereocenter Count | 1 |
| SMILES | C[C@H](CCO)O |
| InChi Key | PUPZLCDOIYMWBV-SCSAIBSYSA-N |
| InChi Code | InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3/t4-/m1/s1 |
| Chemical Name | (3R)-butane-1,3-diol |
| 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]. Exogenous Ketones Lower Blood Glucose Level in Rested and Exercised Rodent Models. Nutrients. 2019 Oct 1;11(10). |
| Additional Infomation | (R)-butane-1,3-diol is a butane-1,3-diol of R-configuration. It is an enantiomer of a (S)-butane-1,3-diol. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~100 mg/mL (~1109.63 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (27.74 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 (27.74 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 (27.74 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 | 11.0963 mL | 55.4816 mL | 110.9632 mL | |
| 5 mM | 2.2193 mL | 11.0963 mL | 22.1926 mL | |
| 10 mM | 1.1096 mL | 5.5482 mL | 11.0963 mL |