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Basic Information
CAS No.: 31005-02-4
Name: 7-ETHOXYCOUMARIN
Molecular Structure:
Molecular Structure of 31005-02-4 (7-ETHOXYCOUMARIN)
Formula: C11H10O3
Molecular Weight: 190.199
Synonyms: Coumarin,7-ethoxy- (6CI,8CI);Ethylumbelliferone;
EINECS: 250-429-4
Density: 1.207 g/cm3
Melting Point: 88-90 °C(lit.)
Boiling Point: 344.962 °C at 760 mmHg
Flash Point: 143.132 °C
Solubility: Soluble in hot methanol (very faint turbidity), 95% ethanol (50 mg/ml), DMF, and DMSO. Insoluble in water.
Appearance: Beige crystalline powder
Hazard Symbols: IrritantXi
Safety: 22-24/25
PSA: 39.44000
LogP: 2.19170
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  • 7-Ethoxycoumarin

  • Casno:

    31005-02-4

    7-Ethoxycoumarin

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    High purity Application:Screening the references, analyzing the expectant ingredients

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Chemistry

Molecular Structure of 2H-1-Benzopyran-2-one,7-ethoxy- (CAS NO.31005-02-4):

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

Safety Profile

Hazard Codes:IrritantXi
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

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.