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| Name |
4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin |
EINECS | N/A |
| CAS No. | 5219-17-0 | Density | 1.248g/cm3 |
| PSA | 59.67000 | LogP | 3.73660 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C18H16 O4 | Boiling Point | 508°Cat760mmHg |
| Molecular Weight | 296.323 | Flash Point | 188.2°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Experimental reproductive effects. When heated to decomposition it emits acrid smoke and irritating vapors. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | A reproductive hazard. |
| Synonyms |
Coumarin,4-ethyl-7-hydroxy-3-(p-methoxyphenyl)- (7CI,8CI);3-(p-Methoxyphenyl)-4-ethyl-7-hydroxycoumarin;4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin; NSC 82441; SC 7801 |
4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin Chemical Properties
Product Name: 4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin (CAS NO.5219-17-0)
Molecular Formula: C18H16O4
Molecular Weight: 296.34g/mol
Mol File: 5219-17-0.mol
Boiling point: 508 °C at 760 mmHg
Flash Point: 188.2 °C
Density: 1.248 g/cm3
Surface Tension: 48.4 dyne/cm
Enthalpy of Vaporization: 80.76 kJ/mol
Vapour Pressure: 6.1E-11 mmHg at 25°C
XLogP3-AA: 3.5
H-Bond Donor: 1
H-Bond Acceptor: 4
Structure Descriptors of 4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin (CAS NO.5219-17-0):
IUPAC Name: 4-Ethyl-7-hydroxy-3-(4-methoxyphenyl)chromen-2-one
Canonical SMILES: CCC1=C(C(=O)OC2=C1C=CC(=C2)O)C3=CC=C(C=C3)OC
InChI: InChI=1S/C18H16O4/c1-3-14-15-9-6-12(19)10-16(15)22-18(20)17(14)11-4-7-13(21-2)8-5-11/h4-10,19H,3H2,1-2H3
InChIKey: OFVOGSOIXOYRRC-UHFFFAOYSA-N
4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin Safety Profile
Experimental reproductive effects. When heated to decomposition it emits acrid smoke and irritating vapors.
4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin Specification
4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin , its CAS NO. is 5219-17-0, the synonyms are 4-18-00-01864 (Beilstein Handbook Reference) ; BRN 0272991 ; NSC 82441 ; SC 7801 ; 2H-1-Benzopyran-2-one, 4-ethyl-7-hydroxy-3-(4-
methoxyphenyl)- (9CI) ; Coumarin, 4-ethyl-7-hydroxy-3-(p-methoxyphenyl)- .
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