E1379

7-Ethoxycoumarin

• Synonym(s): 7-Ethoxy-1-benzopyran-2-one
• Empirical Formula (Hill Notation): C₁₁H₁₀O₃
• CAS Number: 31005-02-4
• Molecular Weight: 190.20
• Beilstein: 146200
• EC Number: 250-429-4
• MDL number: MFCD00006877
• UNSPSC Code: 12161501
• PubChem Substance ID: 24894404
• NACRES: NA.77

Properties

• Assay: ≥99.45% (HPLC)
• form: powder
• mp: 88-90 °C (lit.)
• solubility: 95% ethanol: 50 mg/mL, clear to slightly hazy, colorless to faintly yellow
• fluorescence: λ_ex 323 nm; λ_em 386 nm
• SMILES string: CCOc1ccc2C=CC(=O)Oc2c1
• InChI: 1S/C11H10O3/c1-2-13-9-5-3-8-4-6-11(12)14-10(8)7-9/h3-7H,2H2,1H3
• InChI key: LIFAQMGORKPVDH-UHFFFAOYSA-N

Description

Application

7-Ethoxycoumarin has been used to study the functional activity of recombinant P450. ) It has also been used as an internal standard for in vitro S-warfarin 7-hydroxylation and high performance liquid chromatography (HPLC) analysis.

Biochem/physiol Actions

7-Ethoxycoumarin is a cytochrome P450 substrate.

Substrate for CYP2B6

Safety Information

• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves