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| Product Name: | Quercetin | Other Name: | 4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-;Flavone,3,3′,4′,5,7-pentahydroxy-;Flavone,3,4′,5,5′,7-pentahydroxy-;2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one;C.I. 75670;Meletin;3,5,7,3′,4′-Pentahydroxyflavone;Quercetin;Quercetine;Quercetol;Quertine;Sophoretin;Xanthaurine;3,3′,4′,5,7-Pentahydroxyflavone;Cyanidelonon 1522;Quertin;NSC 57655;NSC 9219;2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-benzopyran-4-one;Corvitin;Korvitin;3′-Hydroxykaempferol;LDN 0052529;Lipoflavon;3,5,7-Trihydroxy-2-(3,4-dihydroxyphenyl)-4H-chromen-4-one;2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one;73123-10-1;74893-81-5 |
| CAS No.: | 117-39-5 | Molecular Formula: | C15H10O7 |
| InChIKeys: | InChIKey=REFJWTPEDVJJIY-UHFFFAOYSA-N | Molecular Weight: | 302.24 |
| Exact Mass: | 302.24 | EC Number: | 204-187-1 |
| UNII: | 9IKM0I5T1E | NSC Number: | 9219 |
| UN Number: | 2811 | DSSTox ID: | DTXSID4021218 |
| NCI Thesaurus Code: | C792 | Color/Form: | Yellow needles (dilute alcohol, +2 water) |
| HScode: | 29329990 | Categories: | Plant Extracts |
| PSA: | 127 | XLogP3: | 1.5 |
| Appearance: | Quercetin appears as yellow needles or yellow powder. Converts to anhydrous form at 203-207°F. Alcoholic solutions taste very bitter. (NTP, 1992) | Density: | 1.3616 (rough estimate) |
| Melting Point: | 316.5 °C | Boiling Point: | Sublimes |
| Flash Point: | 248.1±25.0 °C | Refractive Index: | 1.4790 (estimate) |
| Water Solubility: | H2O: <0.1 g/100 mL at 21 ºC | Storage Conditions: | Store at 0-5°C |
| Vapor Pressure: | 2.81X10-14 mm Hg at 25 deg C (est) | Toxicity: | LD50 oral in rat: 161mg/kg |
| Henrys Law Constant: | Henry’s Law constant = 6.60X10-21 atm-cu m/mol at 25 °C (est) | Dissociation Constants: | pKa1 = 7.17 (phenol); pKa2 = 8.26 (phenol); pKa3 = 10.13 (phenol); pKa4 = 12.30 (phenol); pKa5 = 13.11 (phenol) (est) |
| Collision Cross Section: | 166.7 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]|158.98 Ų [M-H]- [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]|163.4 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] | Experimental Properties: | Yellow needles from dil alcohol. Becomes anhydrous at 95-97 °C. When anhydrous, decomposes at 314 °C; uv max (alcohol) 258, 375 nm (log epsilon 2.75, 2.75). One gram dissolves in 290 mL absolute alcohol, in 25 mL boiling alcohol. Soluble in glacial acetic acid; in aqueous alkaline solutions with yellow color. Practically insoluble in water. Alcoholic solutions taste very bitter. /Dihydrate/|Crystals; mp 123-125 °C; UV max (chloroform): 249, 343 nm (log epsilon 4.43, 4.14) /Pentabenzyl ether/|Hydroxyl radical reaction rate constant = 2.39X10-10 cu cm/molec-sec at 25 °C (est)|Ozone reaction rate constant = 1.05X10-16 cu cm/molec-sec at 25 °C (est) |
| Air and Water Reactions: | Sensitive to exposure to air and light. Insoluble in water. | Reactive Group: | Ketones |
| Reactivity Profile: | QUERCETIN is a strong antioxidant and a metal chelator. Promotes the formation of nitrosamines (NTP, 1992). |
Classification of the substance or mixture
Acute toxicity – Category 3, Oral
GHS label elements, including precautionary statements
| Pictogram(s) |  |
|---|---|
| Signal word |
Danger |
| Hazard statement(s) |
H301 Toxic if swallowed |
| Precautionary statement(s) | |
| Prevention |
P264 Wash … thoroughly after handling. P270 Do not eat, drink or smoke when using this product. |
| Response |
P301+P316 IF SWALLOWED: Get emergency medical help immediately. P321 Specific treatment (see … on this label). P330 Rinse mouth. |
| Storage |
P405 Store locked up. |
| Disposal |
P501 Dispose of contents/container to an appropriate treatment and disposal facility in accordance with applicable laws and regulations, and product characteristics at time of disposal. |
Other hazards which do not result in classification
no data available
Precautions for safe handling
Handling in a well ventilated place. Wear suitable protective clothing. Avoid contact with skin and eyes. Avoid formation of dust and aerosols. Use non-sparking tools. Prevent fire caused by electrostatic discharge steam.
Conditions for safe storage, including any incompatibilities
Quercetin tablets and capsules should be stored at room temp, away from heat, moisture, and direct light.