Physicochemical Properties
| Molecular Formula | C7H12O3 |
| Molecular Weight | 144.1684 |
| Exact Mass | 144.078 |
| CAS # | 3685-26-5 |
| PubChem CID | 151138 |
| Appearance | White to off-white solid powder |
| Density | 1.2±0.1 g/cm3 |
| Boiling Point | 307.9±35.0 °C at 760 mmHg |
| Melting Point | 145ºC |
| Flash Point | 154.2±22.4 °C |
| Vapour Pressure | 0.0±1.5 mmHg at 25°C |
| Index of Refraction | 1.523 |
| LogP | 0.07 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Heavy Atom Count | 10 |
| Complexity | 125 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | HCFRWBBJISAZNK-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C7H12O3/c8-6-3-1-5(2-4-6)7(9)10/h5-6,8H,1-4H2,(H,9,10) |
| Chemical Name | 4-hydroxycyclohexane-1-carboxylic 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]. 4-Hydroxycyclohexanecarboxylic Acid as a Substrate for Cyclohexanecarboxylic Acid Production during the " Zapatera " Spoilage of Spanish-Style Green Table Olives.J Food Prot. 1996 Jun;59(6):657-662. [2]. Apparent gastrointestinal origin of cis-4-hydroxycyclohexanecarboxylic acid.Clin Chim Acta. 1983 Aug 15;132(2):205-8. |
| Additional Infomation |
4-hydroxycyclohexanecarboxylic acid is a 4-hydroxy monocarboxylic acid that is cyclohexane substituted by a carboxy group at position 1 and a hydroxy group at position 4. It has a role as a human urinary metabolite. It is functionally related to a cyclohexanecarboxylic acid. trans-4-Hydroxycyclohexanecarboxylic acid has been reported in Tsuga dumosa with data available. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~100 mg/mL (~693.63 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (17.34 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 (17.34 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 (17.34 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 | 6.9363 mL | 34.6813 mL | 69.3626 mL | |
| 5 mM | 1.3873 mL | 6.9363 mL | 13.8725 mL | |
| 10 mM | 0.6936 mL | 3.4681 mL | 6.9363 mL |