Physicochemical Properties
| Molecular Formula | C10H8O2 |
| Molecular Weight | 160.17 |
| Exact Mass | 160.052 |
| CAS # | 132-86-5 |
| PubChem CID | 8601 |
| Appearance | Light yellow to brown solid powder |
| Density | 1.3±0.1 g/cm3 |
| Boiling Point | 361.5±9.0 °C at 760 mmHg |
| Melting Point | 123-125 °C(lit.) |
| Flash Point | 185.5±13.3 °C |
| Vapour Pressure | 0.0±0.8 mmHg at 25°C |
| Index of Refraction | 1.726 |
| LogP | 1.99 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Heavy Atom Count | 12 |
| Complexity | 158 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | XOOMNEFVDUTJPP-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C10H8O2/c11-8-5-7-3-1-2-4-9(7)10(12)6-8/h1-6,11-12H |
| Chemical Name | naphthalene-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 Note: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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]. Fluorescence and light scattering studies on the interaction of 1,3-dihydroxynaphthalene with ionic and non-ionic surfactants. Polymer Photochemistry. 1984; 4(4):245-253. [2]. Development of a field kit for use by non-scientists for chemical tracking using 5-(4-nitrophenyl)-2,4-pentadien-1-al. Forensic Sci Int. 2013 May 10;228(1-3):e25-7. [3]. Determination of carbohydrates by high-performance capillary electrophoresis with indirect absorbance detection. J Chromatogr B Biomed Appl. 1996 May 31;681(1):87-97. |
| Additional Infomation | 1,3-Naphthalenediol has been reported in Salvia officinalis and Magnolia liliiflora with data available. |
Solubility Data
| Solubility (In Vitro) | DMSO: 100 mg/mL (624.34 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (15.61 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 (15.61 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.  (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 6.2434 mL | 31.2168 mL | 62.4337 mL | |
| 5 mM | 1.2487 mL | 6.2434 mL | 12.4867 mL | |
| 10 mM | 0.6243 mL | 3.1217 mL | 6.2434 mL |