Physicochemical Properties
| Molecular Formula | C11H22O2S |
| Molecular Weight | 218.36 |
| Exact Mass | 218.134 |
| CAS # | 71310-21-9 |
| PubChem CID | 543502 |
| Appearance | Solid powder |
| Density | 0.998g/cm3 |
| Boiling Point | 352.209ºC at 760 mmHg |
| Melting Point | 46-50ºC(lit.) |
| Flash Point | 110ºC |
| Index of Refraction | 1.483 |
| LogP | 3.511 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 10 |
| Heavy Atom Count | 14 |
| Complexity | 137 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | S([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)O[H] |
| InChi Key | GWOLZNVIRIHJHB-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C11H22O2S/c12-11(13)9-7-5-3-1-2-4-6-8-10-14/h14H,1-10H2,(H,12,13) |
| Chemical Name | 11-sulfanylundecanoic acid |
| Synonyms | 11-Thioundecanoic acid; MUA; MUDA; 11-Mercaptoundecanoic acid |
| 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]. Biochemical reagents[M]//Methods of Enzymatic Analysis. Academic Press, 1965: 967-1037. |
Solubility Data
| Solubility (In Vitro) | DMSO : 200 mg/mL (915.92 mM; with sonication) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (11.45 mM)(Saturation unknown) in 10% DMSO 40% PEG300 5% Tween-80 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, add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix well; then add 50 μL Tween-80 to the above system and mix well; then add 450 μL saline to make up 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 (11.45 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, add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD in saline and mix well. *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.  (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 4.5796 mL | 22.8980 mL | 45.7959 mL | |
| 5 mM | 0.9159 mL | 4.5796 mL | 9.1592 mL | |
| 10 mM | 0.4580 mL | 2.2898 mL | 4.5796 mL |