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Name |
1-Propanone, 3-(3-hydroxy-4-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)- |
EINECS | N/A |
CAS No. | 35400-60-3 | Density | 1.409 g/cm3 |
PSA | 107.22000 | LogP | 2.33310 |
Solubility | N/A | Melting Point |
N/A |
Formula | C16H16O6 | Boiling Point | 553.1 °C at 760 mmHg |
Molecular Weight | 304.299 | Flash Point | 207 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Hesperetindihydrochalcone;Hesperitin dihydrochalcone; |
Article Data | 7 |
This chemical is called 1-Propanone, 3-(3-hydroxy-4-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)-, and it's also named as Hesperetin dihydrochalcone. With the molecular formula of C16H16O6, its molecular weight is 304.29. The CAS registry number of this chemical is 35400-60-3. Additionally, its product category is Chalcones.
Other characteristics of the 1-Propanone, 3-(3-hydroxy-4-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)- can be summarised as followings: (1)ACD/LogP: 3.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.19; (4)ACD/LogD (pH 7.4): 2.67; (5)ACD/BCF (pH 5.5): 156.49; (6)ACD/BCF (pH 7.4): 47; (7)ACD/KOC (pH 5.5): 1285.31; (8)ACD/KOC (pH 7.4): 386.03; (9)#H bond acceptors: 6; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 63.22 Å2; (13)Index of Refraction: 1.659; (14)Molar Refractivity: 79.6 cm3; (15)Molar Volume: 215.8 cm3; (16)Polarizability: 31.55×10-24cm3; (17)Surface Tension: 68.5 dyne/cm; (18)Density: 1.409 g/cm3; (19)Flash Point: 207 °C; (20)Enthalpy of Vaporization: 86.49 kJ/mol; (21)Boiling Point: 553.1 °C at 760 mmHg; (22)Vapour Pressure: 7.68E-13 mmHg at 25°C.
Production method of this chemical: The 1-Propanone, 3-(3-hydroxy-4-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)- could be obtained by the reactant of 5,7-dihydroxy-2-(3-hydroxy-4-methoxy-phenyl)-chroman-4-one. This reaction needs the reagents of sodium formate, formic acid, and the solvent of propan-2-ol. The yield is 75 %. The other condition is heating.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(c1c(O)cc(O)cc1O)CCc2ccc(OC)c(O)c2
2.InChI: InChI=1/C16H16O6/c1-22-15-5-3-9(6-12(15)19)2-4-11(18)16-13(20)7-10(17)8-14(16)21/h3,5-8,17,19-21H,2,4H2,1H3
3.InChIKey: RWKSTZADJBEXSQ-UHFFFAOYAG