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120-08-1

120-08-1 Structure

120-08-1 Structure
IdentificationMore
[Name]

SCOPARONE
[CAS]

120-08-1
[Synonyms]

6,7-DIMETHOXY-CHROMEN-2-ONE
6,7-DIMETHOXYCOUMARIN
6,7-DIMETHYLESCULETIN
AKOS 236-43
DIMETHYLESCULETIN
ESCULETIN DIMETHYL ETHER
SCOPARONE
6,7-Dimethoxy-2H-1-benzopyran-2-one
6,7-dimethoxy-benzopyran-2-on
6,7-dimethoxybenzopyran-2-one
6,7-dimethoxy-coumari
6,7-Dimethoxycoumarine
aesculetindimethylether
escoparone
scoparon
6,7-dimethoxy-2-benzopyrone
SCOPARONE, 98% BY HPLC
SCOPARONE(RG)
DIMETHOXYCOUMARIN
6,7-DIMETHYLESCULETIN WITH HPLC
[EINECS(EC#)]

204-369-0
[Molecular Formula]

C11H10O4
[MDL Number]

MFCD00006871
[Molecular Weight]

206.19
[MOL File]

120-08-1.mol
Chemical PropertiesBack Directory
[Melting point ]

143-145 °C (lit.)
[Boiling point ]

265.04°C (rough estimate)
[density ]

1.0858 (rough estimate)
[refractive index ]

1.4389 (estimate)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

>8.4mg/mL in DMSO
[form ]

Powder
[color ]

Light yellow to yellow
[Merck ]

13,8479
[LogP]

1.331 (est)
[CAS DataBase Reference]

120-08-1(CAS DataBase Reference)
[NIST Chemistry Reference]

2H-1-benzopyran-2-one, 6,7-dimethoxy-(120-08-1)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R23/24/25:Toxic by inhalation, in contact with skin and if swallowed .
R36:Irritating to the eyes.
R22:Harmful if swallowed.
[Safety Statements ]

S27/28:After contact with skin, take off immediately all contaminated clothing and wash imediately with plenty of.... (to be specified by the manufacturer) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[RIDADR ]

2811
[WGK Germany ]

3
[RTECS ]

GN6550000
[HazardClass ]

6.1(b)
[PackingGroup ]

III
[HS Code ]

29322090
[Safety Profile]

Poison by ingestion and intraperitoneal routes. Experimental reproductive effects. An anthypertensive agent. When heated to decomposition it emits acrid smoke and irritating fumes.
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Dimethyl sulfate-->Esculetin
Hazard InformationBack Directory
[Uses]

Scoparone-13C2D6 is a by-product in the synthesis of Scopoletin-13C,d3 (S200502). Scopoletin-13C,d3, is the labeled analogue of Scopoletin (S200500), used for cosmetics, topical formulations, and foods. Scoparone-13C2D6 is also the labeled form of Scoparone (S199980), which regulates the expression of Th1/Th2 cytokines and IgE and is effective in treating allergic rhinitis.
[Definition]

ChEBI: Scoparone is a member of the class of coumarins that is esculetin in which the two hydroxy groups at positions 6 and 7 are replaced by methoxy groups. It is a major constituent of the Chinese herbal medicine Yin Chen Hao, and exhibits a variety of pharmacological activities such as anti-inflammatory, anti-allergic, and anti-tumor activities. It has a role as a plant metabolite, an anti-inflammatory agent, an antilipemic drug, an immunosuppressive agent, an antihypertensive agent and an anti-allergic agent. It is a member of coumarins and an aromatic ether. It is functionally related to an esculetin.
[Synthesis Reference(s)]

Synthesis, p. 1026, 1986 DOI: 10.1055/s-1986-31859
[General Description]

6,7-Dimethoxycoumarin inhibits the in vitro growth of Phytophthora citrophthora, Verticillium dahliae, Penicillium digitatum, P. italicum, Colletotrichum gloeosporioides, Diplodia natalensis and Hendersonula toruloidea. Determination and pharmacokinetic study of 6,7-dimethoxycoumarin in rat plasma after intragastric administration of different decoctions of Yinchenhao Tang by reversed-phase HPLC method with UV detection has been reported.
Spectrum DetailBack Directory
[Spectrum Detail]

SCOPARONE(120-08-1)MS
SCOPARONE(120-08-1)1HNMR
SCOPARONE(120-08-1)13CNMR
SCOPARONE(120-08-1)IR1
SCOPARONE(120-08-1)IR2
SCOPARONE(120-08-1)Raman
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

120-08-1(sigmaaldrich)
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