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120-08-1

Basic Information
CAS No.: 120-08-1
Name: SCOPARONE
Article Data: 48
Molecular Structure:
Molecular Structure of 120-08-1 (SCOPARONE)
Formula: C11H10O4
Molecular Weight: 206.198
Synonyms: Coumarin,6,7-dimethoxy- (6CI,7CI,8CI);6,7-Dimethylesculetin;Aesculetin dimethyl ether;Esculetin 6,7-dimethyl ether;Esculetindimethyl ether;NRB 03190;O,O-Dimethylesculetin;O-Methylisoscopoletin;O-Methylscopoletin;Scoparone;Scopoletin methyl ether;Scopoletinmonomethyl ether;
EINECS: 204-369-0
Density: 1.249 g/cm3
Melting Point: 145 °C
Boiling Point: 369.237 °C at 760 mmHg
Flash Point: 166.813 °C
Hazard Symbols: HarmfulXn
Risk Codes: 23/24/25-36-22
Safety: 27/28-36/37/39-45-26
Transport Information: UN 2811
PSA: 48.67000
LogP: 1.81020
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  • 6,7-dihydroxy-3,4-dimethyl-1-benzopyran-2-one

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Chemistry

IUPAC Name: 6,7-Dimethoxychromen-2-one
Synonyms : 6,7-Dimethoxy-2H-chromen-2-one ; 6,7-Dimethoxy-2-benzopyrone
Molecular Structure:
Molecular Formula: C11H10O4
Molecular Weight : 206.19
CAS NO : 120-08-1
EINECS: 204-369-0
Mol File: 120-08-1.mol
Index of Refraction: 1.556
Surface Tension: 43 dyne/cm
Density: 1.248 g/cm3
Flash Point: 166.8 °C
Enthalpy of Vaporization: 61.6 kJ/mol
Boiling Point: 369.2 °C at 760 mmHg
Vapour Pressure: 1.2E-05 mmHg at 25°C
Appearance: 6,7-Dimethylesculetin (CAS NO .120-08-1) is white or yellowish-white needle-like crystals.
Chemical properties: 6,7-Dimethylesculetin (CAS NO .120-08-1) is soluble in chloroform, acetone, soluble in ethanol solution and sodium hydroxide solution, insoluble in petroleum ether and water. Odorless, bitter taste.
Product Categories: Coumarins;API intermediates

Uses

 6,7-Dimethylesculetin (CAS NO .120-08-1) is used as intermediates in organic synthesis. The product is also a drug, there are effect on asthma, expectorant and antitussive .

Production

 6,7-Dimethylesculetin (CAS NO .120-08-1) can be derived from the reaction of 6,7 - dihydroxy-coumarin (C9H6O4, [305-01-1] ) with dimethyl sulfate .

Toxicity Data With Reference

1.    

orl-rat LD50:292 mg/kg

    DRFUD4    Drugs of the Future. 3 (1978),550.
2.    

ipr-rat LD50:190 mg/kg

    DRFUD4    Drugs of the Future. 3 (1978),550.
3.    

orl-mus LD50:280 mg/kg

    DRFUD4    Drugs of the Future. 3 (1978),550.
4.    

ipr-mus LD50:180 mg/kg

    IJMRAQ    Indian Journal of Medical Research. 60 (1972),763.

Safety Profile

Hazard Codes HarmfulXn
Risk Statements 23/24/25-36-22 
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed.
R36:Irritating to eyes.
R22:Harmful if swallowed.
Safety Statements 27/28-36/37/39-45-26
S27:Take off immediately all contaminated clothing.
S28:After contact with skin, wash immediately with plenty of soap-suds.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR 2811
RTECS GN6550000
HazardClass 6.1(b)
PackingGroup III