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Cas Database |
| Name |
1,6-Heptadiene-3,5-dione, 1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)- |
EINECS | N/A |
| CAS No. | 22608-11-3 | Density | 1.282 g/cm3 |
| PSA | 83.83000 | LogP | 3.36130 |
| Solubility | N/A | Melting Point |
166～170℃ |
| Formula | C20H18O5 | Boiling Point | 571.4 °C at 760 mmHg |
| Molecular Weight | 338.36 | Flash Point | 205.5 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 61 | Risk Codes | 50 |
| Molecular Structure |
|
Hazard Symbols | N |
| Synonyms |
1,6-Heptadiene-3,5-dione,1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-, (E,E)-;1,6-Heptadiene-3,5-dione, 1-(4-hydroxy-3-methoxyphenyl)-7-(p-hydroxyphenyl)-(8CI);(1E,6E)-1-(4-Hydroxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione;Curcumin II;Demethoxycurcumin;Desmethoxycurcumin;Monodemethoxycurcumin; |
Article Data | 6 |
1,6-Heptadiene-3,5-dione, 1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)- Specification
The CAS register number of 1,6-Heptadiene-3,5-dione, 1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)- is 22608-11-3. It also can be called as Feruloyl-P-hydroxycinnnamoylmethane and the systematic name about this chemical is (1E,6E)-1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione. The molecular formula about this chemical is C20H18O5 and molecular weight is 338.35.
Physical properties about 1,6-Heptadiene-3,5-dione, 1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)- are: (1)ACD/LogP: 3.15; (2)#H bond acceptors: 5; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 9; (5)Polar Surface Area: 61.83Å2; (6)Index of Refraction: 1.659; (7)Molar Refractivity: 97.36 cm3; (8)Molar Volume: 263.8 cm3; (9)Polarizability: 38.6x10-24cm3; (10)Surface Tension: 56.9 dyne/cm; (11)Enthalpy of Vaporization: 88.86 kJ/mol; (12)Boiling Point: 571.4 °C at 760 mmHg; (13)Vapour Pressure: 1.17E-13 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(\C=C\c1ccc(O)cc1)CC(=O)\C=C\c2cc(OC)c(O)cc2
(2)InChI: InChI=1/C20H18O5/c1-25-20-12-15(6-11-19(20)24)5-10-18(23)13-17(22)9-4-14-2-7-16(21)8-3-14/h2-12,21,24H,13H2,1H3/b9-4+,10-5+
(3)InChIKey: HJTVQHVGMGKONQ-LUZURFALBK
(4)Std. InChI: InChI=1S/C20H18O5/c1-25-20-12-15(6-11-19(20)24)5-10-18(23)13-17(22)9-4-14-2-7-16(21)8-3-14/h2-12,21,24H,13H2,1H3/b9-4+,10-5+
(5)Std. InChIKey: HJTVQHVGMGKONQ-LUZURFALSA-N
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