Physicochemical Properties
| Molecular Formula | C7H12O6 |
| Molecular Weight | 192.1666 |
| Exact Mass | 192.063 |
| CAS # | 77-95-2 |
| PubChem CID | 6508 |
| Appearance | White to off-white solid powder |
| Density | 1.8±0.1 g/cm3 |
| Boiling Point | 438.4±45.0 °C at 760 mmHg |
| Melting Point | 165-170 °C |
| Flash Point | 233.1±25.2 °C |
| Vapour Pressure | 0.0±2.4 mmHg at 25°C |
| Index of Refraction | 1.687 |
| LogP | -2.01 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 1 |
| Heavy Atom Count | 13 |
| Complexity | 203 |
| Defined Atom Stereocenter Count | 2 |
| SMILES | C1[C@H](C([C@@H](CC1(C(=O)O)O)O)O)O |
| InChi Key | AAWZDTNXLSGCEK-LNVDRNJUSA-N |
| InChi Code | InChI=1S/C7H12O6/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h3-5,8-10,13H,1-2H2,(H,11,12)/t3-,4-,5?,7?/m1/s1 |
| Chemical Name | (3R,5R)-1,3,4,5-tetrahydroxycyclohexane-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
| Additional Infomation |
(-)-quinic acid is the (-)-enantiomer of quinic acid. It is a conjugate acid of a (-)-quinate. It is an enantiomer of a (+)-quinic acid. Quinic acid has been reported in Camellia sinensis, Cuscuta reflexa, and other organisms with data available. An acid which is found in cinchona bark and elsewhere in plants. (From Stedman, 26th ed) |
Solubility Data
| Solubility (In Vitro) | H2O : ~125 mg/mL (~650.47 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: 100 mg/mL (520.37 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with sonication.  (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 5.2037 mL | 26.0186 mL | 52.0373 mL | |
| 5 mM | 1.0407 mL | 5.2037 mL | 10.4075 mL | |
| 10 mM | 0.5204 mL | 2.6019 mL | 5.2037 mL |