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Basic information

  • Name:
  • Quercetin

  • CAS No.:
  • 117-39-5

  • Molecular Structure:
  • Formula:
  • C15H10O7
  • Molecular Weight:
  • 302.2357
  • Deleted CAS:
  • 73123-10-1|74893-81-5
  • 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 Description:
  • 45-36-26 Details

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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.

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