Physicochemical Properties
| Molecular Formula | C₁₁H₂₀O₂ |
| Molecular Weight | 184.28 |
| Exact Mass | 184.146 |
| CAS # | 15790-94-0 |
| PubChem CID | 5282728 |
| Appearance | Typically exists as solid at room temperature |
| Density | 0.929g/cm3 |
| Boiling Point | 295.4ºC at 760mmHg |
| Melting Point | 8.5 °C(estimate) |
| Flash Point | 201.1ºC |
| Vapour Pressure | 0.000372mmHg at 25°C |
| Index of Refraction | 1.4625 |
| LogP | 3.377 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 8 |
| Heavy Atom Count | 13 |
| Complexity | 150 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | CCCCCCCC/C=C/C(=O)O |
| InChi Key | IGBBVTAVILYDIO-MDZDMXLPSA-N |
| InChi Code | InChI=1S/C11H20O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h9-10H,2-8H2,1H3,(H,12,13)/b10-9+ |
| Chemical Name | (E)-undec-2-enoic acid |
| Synonyms | trans2Undecenoic acid; trans 2 Undecenoic 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
| ln Vitro | Trans-2-undecenoic acid (E-undecenoic acid) has a crystal packing that is characterized by hydrophobicity in the hydrocarbon chain layer and polar headgroup layer, with acid dimer layers parallel to the (0 4 1) plane. The carbon atoms of the hydrocarbon chain from C4 to C11 are almost entirely staggered in conformation, whereas the carboxyl group of the trans-2-undecenoic acid (E-undecenoic acid) molecule and the next three carbon atoms (C2, C3, and C4) are positioned on a plane [1]. |
| References | [1]. Sonneck M, et al. Crystal structure of (E)-undec-2-enoic acid. Acta Crystallogr E Crystallogr Commun. 2015 May 28;71(Pt 6):o426-7. |
| Additional Infomation | 2-undecenoic acid is an undecenoic acid having its double bond in the 2-position. It is an undecenoic acid and an alpha,beta-unsaturated monocarboxylic acid. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~50 mg/mL (~271.33 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (11.29 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 (11.29 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 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 (11.29 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 | 5.4265 mL | 27.1326 mL | 54.2652 mL | |
| 5 mM | 1.0853 mL | 5.4265 mL | 10.8530 mL | |
| 10 mM | 0.5427 mL | 2.7133 mL | 5.4265 mL |