CAS 92-47-7

3,4-Dihydro-6-methyl-2H-1-benzopyran-2-one

Description:

3,4-Dihydro-6-methyl-2H-1-benzopyran-2-one, commonly known as coumarin, is a fragrant organic compound belonging to the class of benzopyran derivatives. It is characterized by its sweet, vanilla-like aroma, which makes it a popular ingredient in perfumes and flavorings. The molecular structure features a fused benzene and pyran ring, with a carbonyl group contributing to its reactivity. Coumarin is typically a colorless to pale yellow solid at room temperature and is soluble in organic solvents such as ethanol and ether, but has limited solubility in water. It exhibits various biological activities, including anticoagulant properties, and has been studied for its potential therapeutic effects. However, it is important to note that coumarin can be toxic in high doses and is regulated in some countries due to its potential hepatotoxicity. Its applications extend beyond the fragrance industry, as it is also utilized in the synthesis of other chemical compounds and in research settings.

Formula: C₁₀H₁₀O₂

InChI: InChI=1S/C10H10O2/c1-7-2-4-9-8(6-7)3-5-10(11)12-9/h2,4,6H,3,5H2,1H3

InChI key: InChIKey=TWAXWQHDMDUHDN-UHFFFAOYSA-N

SMILES: CC=1C=C2C(OC(=O)CC2)=CC1

Synonyms:

• 3,4-Dihydro-6-methylcoumarin
• 6-Methylhydrocoumarin
• 3,4-Dihydro-6-methyl-2H-1-benzopyran-2-one
• 2H-1-Benzopyran-2-one, 3,4-dihydro-6-methyl-
• Hydrocoumarin, 6-methyl-