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Name |
Quercetin dihydrate |
EINECS | 204-187-1 |
CAS No. | 6151-25-3 | Density | 1.680 g/cm3 |
PSA | 149.82000 | LogP | 1.85940 |
Solubility | practically insoluble in water | Melting Point |
>300 °C(lit.) |
Formula | C15H10O7.2 H2O | Boiling Point | 642.4 °C at 760 mmHg |
Molecular Weight | 338.29 | Flash Point | 248.1 °C |
Transport Information | UN 2811 6.1/PG 3 | Appearance | Yellow solid. |
Safety | 45-53 | Risk Codes | 25-46-23/24/25 |
Molecular Structure | Hazard Symbols | ||
Synonyms |
4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-, dihydrate (9CI);Flavone,3,3',4',5,7-pentahydroxy-, dihydrate (8CI);3,3',4',5,7-Pentahydroxyflavonedihydrate;Quercetin;4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-, hydrate (1:2); |
1. Introduction of Quercetin dihydrate
Quercetin dihydrate is one kind of white crystalline powder. The IUPAC Name of this chemical is 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one dihydrate. It is not a water soluble product and its water solubility is practically insoluble. Besides, the Product Categories of Quercetin dihydrate is Flavanols; Biochemistry; Flavonoids; C15 to C38; Carbonyl Compounds; Ketones; Signalling. In addition, the Classification Code of it is Mutation data; Tumor data.
Quercetin dihydrate (CAS NO.6151-25-3) could be stable under normal temperatures and pressures. It is not compatible with strong oxidizing agents, strong acids. And also prevent it to broken down into hazardous decomposition products: carbon monoxide, carbon dioxide, acrid smoke and fumes. In addition, it should keep its containers tightly closed. Or stored in a cool, dry area away from incompatible substances.
2. Properties of Quercetin dihydrate
Physical properties about Quercetin dihydrate are:
(1)Flash Point: 248.1 °C; (2)Colour Index: 75670; (3)Melting point: >300 °C(lit.); (4)Enthalpy of Vaporization: 98.26 kJ/mol; (5)Boiling Point: 642.4 °C at 760 mmHg; (6)Vapour Pressure of Quercetin dihydrate(6151-25-3): 4.24E-17 mmHg at 25 °C; (7)H-Bond Donor: 7; (8)H-Bond Acceptor: 9; (9)Rotatable Bond Count: 1; (10)Tautomer Count: 435; (11)Exact Mass: 338.063782; (12)MonoIsotopic Mass: 338.063782; (13)Topological Polar Surface Area: 129; (14)Heavy Atom Count: 24; (15)Formal Charge: 0; (16)Complexity: 488; (17)Isotope Atom Count: 0; (18)Defined Atom Stereocenter Count: 0; (19)Undefined Atom Stereocenter Count: 0; (20)Defined Bond Stereocenter Count: 0; (21)Undefined Bond Stereocenter Count: 0; (22)Covalently-Bonded Unit Count: 3.
3. Structure Descriptors of Quercetin dihydrate
(1)Canonical SMILES: C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O.O.O
(2)InChI: InChI=1S/C15H10O7.2H2O/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6;;/h1-5,16-19,21H;2*1H2
(3)InChIKey: GMGIWEZSKCNYSW-UHFFFAOYSA-N
(4)Smiles: c1(c(O)c(=O)c2c(O)cc(O)cc2o1)c1cc(O)c(O)cc1.O.O
4. Toxicity information of Quercetin dihydrate
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | oral | 159mg/kg (159mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION BEHAVIORAL: MUSCLE WEAKNESS | Proceedings of the Society for Experimental Biology and Medicine. Vol. 77, Pg. 269, 1951. |
1. | mmo-sat 15 µg/plate | MUREAV Mutation Research. 206 (1988),201. | ||
2. | mma-sat 7500 ng/plate | MUREAV Mutation Research. 206 (1988),201. | ||
3. | orl-rat TDLo:1350 g/kg/77W-C:ETA,REP | CALEDQ Cancer Letters (Shannon, Ireland). 13 (1981),15. | ||
4. | orl-rat TD:4250 g/kg/121W-C:ETA,REP | CALEDQ Cancer Letters (Shannon, Ireland). 13 (1981),15. | ||
5. | orl-mus LD50:159 mg/kg | PSEBAA Proceedings of the Society for Experimental Biology and Medicine. 77 (1951),269. |