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Cas Database |
| Name |
7-Ethoxycoumarin |
EINECS | 250-429-4 |
| CAS No. | 31005-02-4 | Density | 1.207 g/cm3 |
| PSA | 39.44000 | LogP | 2.19170 |
| Solubility | Soluble in hot methanol (very faint turbidity), 95% ethanol (50 mg/ml), DMF, and DMSO. Insoluble in water. | Melting Point |
88-90 °C(lit.) |
| Formula | C11H10O3 | Boiling Point | 344.962 °C at 760 mmHg |
| Molecular Weight | 190.199 | Flash Point | 143.132 °C |
| Transport Information | N/A | Appearance | Beige crystalline powder |
| Safety | 22-24/25 | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
Coumarin,7-ethoxy- (6CI,8CI);Ethylumbelliferone; |
Article Data | 14 |
7-Ethoxycoumarin Chemical Properties
Molecular Structure of 2H-1-Benzopyran-2-one,7-ethoxy- (CAS NO.31005-02-4):
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IUPAC Name: 7-ethoxychromen-2-one
Empirical Formula: C11H10O3
Molecular Weight: 190.1953
H bond acceptors: 3
H bond donors: 0
Freely Rotating Bonds: 2
Polar Surface Area: 35.53 Å2
Index of Refraction: 1.561
Molar Refractivity: 51.07 cm3
Molar Volume: 157.6 cm3
Surface Tension: 43.3 dyne/cm
Density: 1.206 g/cm3
Flash Point: 143.1 °C
Enthalpy of Vaporization: 58.9 kJ/mol
Boiling Point: 345 °C at 760 mmHg
Vapour Pressure: 6.36E-05 mmHg at 25°C
InChI
InChI=1/C11H10O3/c1-2-13-9-5-3-8-4-6-11(12)14-10(8)7-9/h3-7H,2H2,1H3
Smiles
c12c(ccc(c1)OCC)ccc(o2)=O
Melting Point: 88-90 °C(lit.)
BRN: 146200
Product Categories of 2H-1-Benzopyran-2-one,7-ethoxy- (CAS NO.31005-02-4): Coumarin; Aromatics Compounds; Aromatics
7-Ethoxycoumarin Safety Profile
Hazard Codes:
Xi
Safety Statements:22-24/25
S22:Do not breathe dust.
S24/25:Avoid contact with skin and eyes.
WGK Germany:3
F:8
Hazard Not:Irritant
7-Ethoxycoumarin Specification
2H-1-Benzopyran-2-one,7-ethoxy- , with CAS number of 31005-02-4, can be called 7-Ethoxy-1-benzopyran-2-one ; 7-ethoxy-1-benzopyrane-2-one ; 7-ethoxycoumarin ; ethoxycoumarin, 7- ; 2h-1-benzopyran-2-one, 7-ethoxy- ; coumarin, 7-ethoxy-;ethylumbelliferone ; 7-ethoxycoumarin, 99.5% . 2H-1-Benzopyran-2-one,7-ethoxy- (CAS NO.31005-02-4) is a beige crystalline powder,can be used as a substrate for CYP2B6.
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