Physicochemical Properties
| Molecular Formula | C₈H₈O₃ |
| Molecular Weight | 152.15 |
| Exact Mass | 152.047 |
| CAS # | 1197-09-7 |
| PubChem CID | 14530 |
| Appearance | Light brown to brown solid powder |
| Density | 1.3±0.1 g/cm3 |
| Boiling Point | 372.4±27.0 °C at 760 mmHg |
| Melting Point | 117 °C |
| Flash Point | 193.2±20.2 °C |
| Vapour Pressure | 0.0±0.9 mmHg at 25°C |
| Index of Refraction | 1.595 |
| LogP | 1.28 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Heavy Atom Count | 11 |
| Complexity | 155 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | UCQUAMAQHHEXGD-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C8H8O3/c1-5(9)6-2-3-7(10)8(11)4-6/h2-4,10-11H,1H3 |
| Chemical Name | 1-(3,4-dihydroxyphenyl)ethanone |
| Synonyms | 3',4'Dihydroxyacetophenone; 3',4' Dihydroxyacetophenone |
| 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]. Antimelanogenic Activity of 3,4-dihydroxyacetophenone: Inhibition of Tyrosinase and MITF. Biosci Biotechnol Biochem. 2006 Feb;70(2):532-4. [2]. Autotoxicity and Allelopathy of 3,4-dihydroxyacetophenone Isolated From Picea Schrenkiana Needles. Molecules. 2011 Oct 24;16(10):8874-93. |
| Additional Infomation |
3,4-dihydroxyacetophenone is a member of acetophenones. It has a role as a metabolite. 3',4'-Dihydroxyacetophenone has been reported in Picea obovata, Picea glauca, and other organisms with data available. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~50 mg/mL (~328.62 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (16.43 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 (16.43 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 (16.43 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 | 6.5725 mL | 32.8623 mL | 65.7246 mL | |
| 5 mM | 1.3145 mL | 6.5725 mL | 13.1449 mL | |
| 10 mM | 0.6572 mL | 3.2862 mL | 6.5725 mL |