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117-39-5

Basic Information
CAS No.: 117-39-5
Name: Quercetin
Article Data: 243
Cas Database
Molecular Structure:
Molecular Structure of 117-39-5 (Quercetin)
Formula: C15H10O7
Molecular Weight: 302.24
Synonyms: 4H-1-benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-;Quercetin content;Cyanidelonon 1522;3,5,7-Trihydroxy-2-(3,4-dihydroxyphenyl)-4H-chromen-4-on;3,5,7,3,4-Pentahydroxyflavone;Quercetine;Quercetol;3,3',4',5,7-pentahydroxyflavone;Quercetin 99%;Sophoretin;C.I. natural yellow 10 & 13;C.I. Natural Yellow 10;Quertin;C.I. 75670;Quertine;t-Gelb bzw. grun 1;3,4,5,7-Tetrahydroxyflavan-3-ol;4H-1-Benzopyran-4-one, 2- (3,4-dihydroxyphenyl)-3,5,7-trihydroxy-;Xanthaurine;3,5,7,3, 4-Pentahydroxyflavone;Flavin meletin;Flavone, 3,3,4,5,7-pentahydroxy-;2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one;Flavone, 3,4,5,5,7-pentahydroxy-;3,3,4,5,7-Pentahydroxyflavone;2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chromen-4-one;
EINECS: 204-187-1
Density: 1.799 g/cm3
Melting Point: 314-317 ºC
Boiling Point: 642.4 ºC at 760 mmHg
Flash Point: 248.1 ºC
Solubility: <0.1 g/100 mL at 21 ºC in water
Appearance: Yellow to green yellow crystalline powde
Hazard Symbols: ToxicT,IrritantXi
Risk Codes: 25-36/37/38
Safety: 45-36-26
Transport Information: N/A
PSA: 131.36000
LogP: 1.98800
Synthetic route
117-39-5

quercetol

Conditions
ConditionsYield
With hydrogenchloride; methanol for 3h; Heating;96%
With water at 100℃; Kinetics; Ionic liquid;90%
With sulfuric acid; water at 20℃; for 0.166667h;89%
7647-01-0

hydrogenchloride

187221-65-4

quercetin triphenylantimony complex

A

117-39-5

quercetol

B

594-31-0, 34716-91-1, 20265-29-6

triphenylantimony dichloride

Conditions
ConditionsYield
heating (3 h, water bath); soln. pouring into Petri dish, solid extraction by benzene;A 75%
B 88%
95412-48-9

6,8-dibromoquercetin

117-39-5

quercetol

Conditions
ConditionsYield
With sodium sulfite In water at 60℃; for 18h; Green chemistry;87%
1244-78-6

2-(3,4-dimethoxyphenyl)-3-hydroxy-5,7-dimethoxy-4H-4-chromenone

117-39-5

quercetol

Conditions
ConditionsYield
With boron tribromide In dichloromethane for 6h; Heating;83%
With trimethylsilyl iodide In methanol at 35℃; for 96h; Inert atmosphere;
482-36-0

Hyperoside

A

10257-28-0

D-Galactose

B

117-39-5

quercetol

Conditions
ConditionsYield
With sulfuric acid at 100℃; for 1h;A n/a
B 68%
With grape snail enzymes
With rhamnodiastase

antoside

A

2280-44-6

D-Glucose

B

73-34-7

L-rhamnose

C

117-39-5

quercetol

Conditions
ConditionsYield
With sulfuric acid at 100℃; for 2h;A n/a
B n/a
C 68%
With sulfuric acid at 100℃; for 2h;A n/a
B n/a
C 47%
491-50-9, 36450-05-2, 59985-52-3

quercetin 7-O-β-D-glucopyranoside

117-39-5

quercetol

Conditions
ConditionsYield
Acid hydrolysis;68%
With sulfuric acid for 1h; Heating;
491-50-9, 36450-05-2, 59985-52-3

quercetin 7-O-β-D-glucopyranoside

A

50-99-7

D-glucose

B

117-39-5

quercetol

Conditions
ConditionsYield
With water Acidic conditions;A n/a
B 65%
With water Acidic conditions;
482-35-9

isoquercetin

A

2280-44-6

D-Glucose

B

117-39-5

quercetol

Conditions
ConditionsYield
With sulfuric acidA n/a
B 64.3%
Product distribution; object of study - products of acid hydrolysis;
With 2M HCl In hydrogenchloride at 90℃; for 1h; Product distribution; other reagent;
482-36-0

Hyperoside

A

59-23-4

D-Galactose

B

117-39-5

quercetol

Conditions
ConditionsYield
With water Acidic conditions;A n/a
B 64%
Acidic conditions;
Acidic aq. solution;
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Chemistry

Molecular Structure:

Molecular Formula: C15H10O7
Molecular Weight: 302.2357
IUPAC Name: 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one
Synonyms of Quercetin (CAS NO.117-39-5): 3',4',5,7-Tetrahydroxyflavan-3-ol ; 3,3',4',5,7-Pentahydroxyflavone ; 3,5,7,3',4'-Pentahydroxyflavone ; 3,5,7-Trihydroxy-2-(3,4-dihydroxyphenyl)-4H-chromen-4-on ; 5-18-05-00494 (Beilstein Handbook Reference) ; AI3-26018 ; BRN 0317313 ; C.I. 75670 ; C.I. Natural Yellow 10 ; CCRIS 1639 ; CI 75670 ; CI Natural Yellow 10 ; EINECS 204-187-1 ; Flavin meletin ; Flavone, 3,3',4',5,7-pentahydroxy- ; HSDB 3529 ; Kvercetin ; Kvercetin [Czech] ; NCI-C60106 ; NSC 9219 ; NSC 9221 ; Quercetin content ; Sophoretin ; T-Gelb bzw. grun 1 ; UNII-9IKM0I5T1E ; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy- ; Natural Yellow 10
CAS NO: 117-39-5
Classification Code: Antioxidants ; Mutation data ; Natural Product ; Protective Agents ; Reproductive Effect ; Tumor data
Melting point: 314-317°C 
Index of Refraction: 1.823
Molar Refractivity: 73.31 cm3
Molar Volume: 167.9 cm3
Surface Tension: 114.8 dyne/cm
Density: 1.799 g/cm3
Flash Point: 248.1 °C
Enthalpy of Vaporization: 98.26 kJ/mol
Boiling Point: 642.4 °C at 760 mmHg
Vapour Pressure: 4.24E-17 mmHg at 25°C

Uses

 Quercetin (CAS NO.117-39-5) has demonstrated significant anti-inflammatory activity by inhibiting both manufacture and release of histamine and other allergic/inflammatory mediators.In addition, it exerts potent antioxidant activity and vitamin C-sparing action. It has also been claimed that quercetin reduces blood pressure in hypertensive subjects. An in-vitro study on fat cells suggested that quercetin and resveratrol may have a synergistic anti-obesity effect.
 

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 3gm/kg (3000mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 64, Pg. 186, 1968.
mouse LD50 intravenous 18mg/kg (18mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02589,
mouse LD50 oral 159mg/kg (159mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: MUSCLE WEAKNESS

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Proceedings of the Society for Experimental Biology and Medicine. Vol. 77, Pg. 269, 1951.
mouse LD50 subcutaneous 97mg/kg (97mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: MUSCLE WEAKNESS

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Proceedings of the Society for Experimental Biology and Medicine. Vol. 77, Pg. 269, 1951.
rabbit LD50 intravenous 100mg/kg (100mg/kg)   FAO Nutrition Meetings Report Series. Vol. 46A, Pg. 18, 1969.
rat LD50 oral 161mg/kg (161mg/kg)   Reviews of Environmental Contamination and Toxicology. Vol. 113, Pg. 47, 1990.

Safety Profile

Hazard Codes of Quercetin (CAS NO.117-39-5): ToxicT,IrritantXi
Risk Statements: 25-36/37/38 
R25: Toxic if swallowed. 
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 45-36-26 
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) 
S36: Wear suitable protective clothing. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
RIDADR: 2811
RTECS: LK8750000
HazardClass: 6.1(b)
PackingGroup: III

Specification

Drug interactions of Quercetin (CAS NO.117-39-5): It is contraindicated with some antibiotics; it may interact with fluoroquinolones (a type of medicinal antibiotic), as quercetin competitively binds to bacterial DNA gyrase. It is also a potent inhibitor of CYP3A4 and CYP2C9, which are enzymes that break down most drugs in the body.