Quercetin, Quercetin Dihydrate, Quercetin Hydrate, Pentahydroxyflavone Dihydrate, 6151-25-3
QUERCETIN (QUERCETIN) DIHYDRATE
CAS No: 6151-25-3
EC No: 612-158-3
Molecular Formula: C₁₅H₁₀O₇ · 2H₂O
Molecular Weight: 338.3 g/mol
SECTION 1: PRODUCT IDENTIFICATION AND CHEMICAL IDENTITY
| Parameter |
Description |
| Product Name |
Quercetin (Quercetin) Dihydrate |
| IUPAC Name |
2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one dihydrate |
| Other Names |
Quercetin dihydrate, Quercetin hydrate, 3,3′,4′,5,7-Pentahydroxyflavone dihydrate |
| CAS No |
6151-25-3 |
| EC No |
612-158-3 |
| Molecular Formula |
C₁₅H₁₀O₇ · 2H₂O |
| Molecular Weight |
338.3 g/mol |
| Chemical Class |
Flavonoid (flavonol) |
| Appearance |
Yellow crystalline powder |
| Intended Use |
Laboratory and research use only |
SECTION 2: PHYSICAL AND CHEMICAL PROPERTIES
| Property |
Value |
| Appearance |
Yellow crystalline powder |
| Odor |
Slight characteristic, not pronounced |
| Melting Point |
~316 °C (decomposition, literature) |
| Molecular Weight |
338.3 g/mol (dihydrate) |
| Anhydrous Form Molecular Weight |
302.24 g/mol |
| pH |
Not specified |
| Volatility |
Low |
| Hygroscopicity |
May absorb moisture; store in dry conditions |
SECTION 3: SOLUBILITY PROFILE
| Solvent |
Solubility |
Condition |
| Water |
<0.1 mg/mL |
Very low, practically insoluble |
| DMSO |
100 mg/mL |
Ultrasonic treatment may be required |
| Ethanol |
Slightly soluble |
Literature |
| Methanol |
Slightly soluble |
Literature |
| Acetone |
Slightly soluble |
Literature |
| Alkaline solutions |
Soluble (phenolate salts) |
pH > 8 |
| Chloroform |
Very slightly soluble |
Literature |
Critical Note: Quercetin dihydrate is practically insoluble in water. For biological studies, a DMSO stock solution is generally prepared and diluted with suitable buffers.
SECTION 4: CHEMICAL PROPERTIES AND REACTIONS
| Property |
Description |
| Chemical Class |
Flavonol (polyphenolic flavonoid) |
| Functional Groups |
Phenolic -OH groups, carbonyl (C=O), aromatic rings |
| Acidity |
Weakly acidic phenolic protons |
| Antioxidant Activity |
Free radical scavenger; metal chelator |
| Reactivity |
Sensitive to oxidation; may degrade upon exposure to light, heat, and air |
| Metal Complexation |
Can form complexes with metals such as Fe³⁺, Cu²⁺, Al³⁺ |
| Glycosylation |
Glycosides occur naturally in plants |
| Methylation |
Can be methylated by catechol-O-methyltransferase |
SECTION 5: SPECTRAL DATA
| Parameter |
Value |
| UV-Vis (Methanol) |
λmax ~ 256 nm and ~ 370 nm |
| FTIR (KBr, cm⁻¹) |
3300-3500 (O-H), 1660 (C=O), 1610, 1510 (aromatic C=C) |
| ¹H-NMR (DMSO-d₆) |
Aromatic protons between 6.2-7.8 ppm; phenolic OH protons broad |
| ¹³C-NMR (DMSO-d₆) |
176 ppm (C=O), 160-165 ppm (C-OH), 115-145 ppm (aromatic C) |
| Mass Spectrometry (ESI-MS) |
m/z 303 [M+H]⁺ (anhydrous form); dihydrate loses water |
| HPLC |
Typically C18 column, UV detector at 370 nm |
SECTION 6: PURITY AND QUALITY SPECIFICATIONS
| Parameter |
Typical Value |
| Purity (HPLC) |
≥ 95% (depending on supplier specification) |
| Appearance |
Yellow crystalline powder |
| Water Content |
Consistent with dihydrate form |
| Ash Content |
≤ 0.5% (typical) |
| Heavy Metals |
≤ 10 ppm (typical) |
| Solubility |
Clear in DMSO, insoluble in water |
| Identity Confirmation |
Verified by IR, NMR, or MS |
Note: For exact quality specifications, refer to the supplier’s Certificate of Analysis (CoA).
SECTION 7: USES
| Application Area |
Description |
| Research and laboratory |
Biochemistry, pharmacology, food science |
| Antioxidant studies |
Free radical scavenging, oxidative stress models |
| Anti-inflammatory studies |
Cytokine inhibition, NF-κB pathways |
| PI3K inhibitor |
Biological research, cell signaling pathways |
| Cancer research |
Cell proliferation, apoptosis studies |
| Use Restriction |
Not suitable for direct use in food, beverages, or animal feed |
SECTION 8: ALLERGENS AND SAFETY CONCERNS
| Parameter |
Information |
| Contact Allergen |
Not a known strong contact allergen |
| Sensitization |
Rare; however, inhalation of powder may cause irritation |
| Occupational Exposure |
Laboratory personnel, researchers |
| Risk Group |
For professional use only |
SECTION 9: TOXICOLOGY AND HEALTH EFFECTS
| Parameter |
Value / Description |
| Classification (CLP/GHS) |
Acute Toxicity (Oral), Category 3 |
| H301 |
Toxic if swallowed |
| Oral LD₅₀ (ATE) |
~159–161 mg/kg |
| Skin Contact |
May be irritating |
| Eye Contact |
May be irritating |
| Inhalation |
Powder inhalation may irritate the respiratory tract |
| Ingestion |
Toxic; requires medical attention |
| Target Organs |
Not specified; systemic toxicity risk exists |
SECTION 10: FIRST AID MEASURES
| Exposure Route |
Action |
| Inhalation |
Move to fresh air; seek medical attention if breathing is difficult |
| Skin Contact |
Wash with plenty of water and soap; seek medical attention if irritation persists |
| Eye Contact |
Rinse with plenty of water for at least 15 minutes; seek medical attention |
| Ingestion |
Rinse mouth, drink plenty of water, DO NOT induce vomiting; immediately contact a poison control center or physician |
| General |
Keep the affected person warm and calm; never give anything by mouth if unconscious |
SECTION 11: ECOTOXICOLOGY AND ENVIRONMENTAL BEHAVIOR
| Parameter |
Value / Description |
| PBT/vPvB |
Not (not classified as persistent, bioaccumulative, or toxic) |
| Endocrine Disruptor |
Not present at ≥0.1% level |
| Aquatic Toxicity |
Limited data; low water solubility reduces bioavailability |
| Environmental Precaution |
Do not discharge into sewers, drains, or water sources |
| Disposal |
Dispose of as hazardous waste in accordance with local regulations |
SECTION 12: SAFETY PRECAUTIONS AND PERSONAL PROTECTIVE EQUIPMENT
| Parameter |
Information |
| Respiratory Protection |
NIOSH-approved particulate mask if dust is generated |
| Gloves |
Nitrile or latex gloves |
| Eye Protection |
Chemical safety goggles |
| Body Protection |
Laboratory coat; full protective clothing |
| Ventilation |
Fume hood or well-ventilated area |
| Engineering Controls |
Prevent dust formation; use closed systems |
| Precautionary Statements |
P270: Do not eat, drink, or smoke when using this product. P301+P310: IF SWALLOWED: Immediately call a poison center/doctor. |
SECTION 13: STORAGE INFORMATION
| Form |
Condition |
Shelf Life |
| Powder |
-20 °C |
3 years |
| Solution |
-80 °C |
6 months |
| Solution |
-20 °C |
1 month |
| General Storage |
Cool, dry, well-ventilated area |
Protect from light and moisture |
| Container |
Tightly closed, amber glass or suitable plastic container |
- |
| Incompatibilities |
Strong oxidizing agents, heat, light, moisture |
- |
SECTION 14: TRANSPORT INFORMATION
| Parameter |
Information |
| UN Number |
UN 2811 (Toxic solid, organic, n.o.s.) – typical |
| Hazard Class |
6.1 (Toxic substances) |
| Packing Group |
III (based on LD₅₀ ~159-161 mg/kg) |
| Label |
6.1 (Toxic) |
| ADR/RID |
UN 2811, Class 6.1, PG III |
| IMDG |
UN 2811, Class 6.1, PG III |
| IATA |
UN 2811, Class 6.1, PG III |
| Proper Shipping Name |
Toxic solid, organic, n.o.s. (Quercetin dihydrate) |
| Special Note |
Consult supplier SDS for exact classification |
SECTION 15: FIRE-FIGHTING MEASURES
| Parameter |
Information |
| Fire Hazard |
Combustible solid; may decompose at high temperatures |
| Extinguishing Media |
Water spray, foam, CO₂, dry chemical powder |
| Special Hazards |
Combustion may release CO, CO₂, and organic decomposition products |
| Protective Equipment |
Self-contained breathing apparatus (SCBA), full protective clothing |
| Water Use |
Avoid excessive water; prevent fire runoff from entering drains |
SECTION 16: ACCIDENTAL RELEASE AND CLEANUP
| Parameter |
Information |
| Personal Protection |
Gloves, goggles, lab coat, dust mask |
| Ventilation |
Increase ventilation |
| Control |
Avoid dust formation; contain spill |
| Cleaning |
Collect with suitable tools; place in closed containers |
| Environmental Precaution |
Prevent entry into sewers, drains, and water sources |
| Disposal |
Dispose of as hazardous waste according to local regulations |
SECTION 17: REGULATORY INFORMATION
| Regulation |
Status |
| CLP/GHS |
Acute Toxicity (Oral), Category 3; H301 |
| REACH |
Depends on supplier registration status |
| Food/Feed Use |
Not suitable |
| Cosmetic Use |
Not suitable |
| PBT/vPvB |
Not |
| Endocrine Disruptor |
Not present at ≥0.1% level |
| California Prop 65 |
Not listed (typical) |
| TSCA |
Listed (typical) |
SECTION 18: ANALYTICAL METHODS
| Method |
Description |
| HPLC-UV |
C18 column, 370 nm; purity and quantification |
| LC-MS/MS |
ESI negative ion mode; m/z 301 [M-H]⁻ |
| UV-Vis |
Characteristic absorbance at 256 nm and 370 nm |
| FTIR |
O-H, C=O, aromatic C=C bands |
| NMR |
Structure confirmation; DMSO-d₆ solvent |
| Titration |
Phenolic content determination (Folin-Ciocalteu) |
SECTION 19: STABILITY AND REACTIVITY
| Parameter |
Information |
| Chemical Stability |
Stable under recommended storage conditions |
| Light Sensitivity |
May degrade upon exposure to light |
| Heat Sensitivity |
Decomposes at high temperatures |
| Moisture Sensitivity |
May be hygroscopic; store dry |
| Oxidation |
May slowly oxidize with atmospheric oxygen |
| Incompatibilities |
Strong oxidizing agents, strong bases, metal ions |
| Hazardous Decomposition Products |
CO, CO₂, organic fumes |
SECTION 20: PHARMACOLOGICAL AND BIOLOGICAL PROPERTIES
| Parameter |
Description |
| Biological Activity |
Antioxidant, anti-inflammatory, anticancer, antiviral |
| PI3K Inhibition |
Inhibits PI3K/Akt pathway |
| Kinase Inhibition |
May inhibit various kinases |
| Cell Signaling |
Affects MAPK, NF-κB, Nrf2 pathways |
| Use |
For in vitro and in vivo research only |
| Clinical Use |
Not for human or animal treatment |
SECTION 21: DISPOSAL INFORMATION
| Parameter |
Information |
| Waste Class |
Hazardous chemical waste |
| Disposal Method |
Authorized hazardous waste incineration facility |
| Sewer |
Must never be discharged into sewers |
| Packaging Disposal |
Contaminated packaging disposed of as hazardous waste |
| Local Regulations |
Comply with all local, national, and international regulations |
SECTION 22: SUMMARY AND CRITICAL WARNINGS
Key Properties
| Property |
Value |
| Product Name |
Quercetin (Quercetin) Dihydrate |
| CAS No |
6151-25-3 |
| EC No |
612-158-3 |
| Formula |
C₁₅H₁₀O₇ · 2H₂O |
| Molecular Weight |
338.3 g/mol |
| Appearance |
Yellow crystalline powder |
| Water Solubility |
<0.1 mg/mL |
| DMSO Solubility |
100 mg/mL |
| Toxicity |
Acute Tox 3 (Oral), H301 |
| LD₅₀ (Oral) |
~159–161 mg/kg |
| Use |
Research use only |
CRITICAL WARNINGS
Toxic if Swallowed (H301): Oral LD₅₀ is approximately 159–161 mg/kg. Must not be swallowed. If swallowed, seek immediate medical attention.
Not Suitable for Food or Feed: Quercetin dihydrate is not approved for direct use in food, beverages, or animal feed.
Professional Use Only: Use only in laboratory and research environments with appropriate personal protective equipment.
Storage: Powder at -20 °C for 3 years; solution at -80 °C for 6 months or -20 °C for 1 month. Protect from light and moisture.
Solubility: Practically insoluble in water; soluble in DMSO up to 100 mg/mL. Solvent selection is critical for biological studies.
Environmental: Not PBT/vPvB; not classified as an endocrine disruptor. Nevertheless, release into the environment should be prevented.
IMPORTANT DISCLAIMER: This Technical Data Sheet (TDS) is for informational purposes only and is based on available scientific data. The user is responsible for determining the suitability of the product for their specific application and for complying with all local, national, and international regulations. For complete safety, storage, use, transport, waste, and regulatory compliance information, refer to the official Safety Data Sheet (SDS/MSDS) provided by the manufacturer/supplier. When working with Quercetin dihydrate, all local, national, and international regulations must be followed.
