6,7-Dimethoxycoumarin , 98% , 120-08-1

Synonym(s):
Scoparone;6,7-Dimethylesculetin;Aesculetin dimethyl ether;Escoparone;Esculetin 6,7-dimethyl ether

CAS NO.：120-08-1

Empirical Formula: C11H10O4

Molecular Weight: 206.19

MDL number: MFCD00006871

EINECS: 204-369-0

PRODUCT Properties

• 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
• InChI: InChI=1S/C11H10O4/c1-13-9-5-7-3-4-11(12)15-8(7)6-10(9)14-2/h3-6H,1-2H3
• InChIKey: GUAFOGOEJLSQBT-UHFFFAOYSA-N
• SMILES: C1(=O)OC2=CC(OC)=C(OC)C=C2C=C1
• 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)

Description and 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.

Safety

• Symbol(GHS): GHS06
• Signal word: Danger
• Hazard statements: H301-H319
• Precautionary statements: P301+P310+P330-P305+P351+P338
• Hazard Codes: Xn
• Risk Statements: 23/24/25-36-22
• Safety Statements: 27/28-36/37/39-45-26
• RIDADR: 2811
• WGK Germany: 3
• RTECS: GN6550000
• HazardClass: 6.1(b)
• PackingGroup: III
• HS Code: 29322090