CAS 6018-41-3

Methyl coumalate

Description:

Methyl coumalate, with the CAS number 6018-41-3, is an organic compound that belongs to the class of coumarin derivatives. It is characterized by its ester functional group, which is formed from the reaction of coumalic acid and methanol. This compound typically appears as a colorless to pale yellow liquid with a pleasant, sweet aroma, making it of interest in the fragrance and flavor industries. Methyl coumalate is known for its solubility in organic solvents, while its solubility in water is limited. It exhibits moderate volatility and can be sensitive to light and heat, which may affect its stability. In terms of reactivity, methyl coumalate can participate in various chemical reactions, including hydrolysis and transesterification. Its potential applications extend beyond flavoring and fragrance, as it may also serve as a building block in organic synthesis. Safety data indicates that, like many organic compounds, it should be handled with care to avoid inhalation or skin contact.

Formula: C₇H₆O₄

InChI: InChI=1S/C7H6O4/c1-10-7(9)5-2-3-6(8)11-4-5/h2-4H,1H3

InChI key: InChIKey=HHWWWZQYHPFCBY-UHFFFAOYSA-N

SMILES: C(OC)(=O)C=1C=CC(=O)OC1

Synonyms:

• 2H-Pyran-5-carboxylic acid, 2-oxo-, methyl ester
• 2H-Pyran-5-carboxylic acid, 2-oxo-, methyl ester (8CI)(9CI)
• 5-(Carbomethoxy)-2-pyrone
• 5-(Methoxycarbonyl)-2-pyrone
• Coumalic acid, methyl ester
• Cumalic acid methyl ester
• Glutaconic acid, 4-(hydroxymethylene)-, δ-lactone, methyl ester
• Methyl 2-oxo-2H-pyran-5-carboxylate
• Methyl 2-pyrone-5-carboxylate
• Methyl cumalate
• Nsc 137387
• Nsc 34627

Methyl Coumalate

CAS: 6018-41-3

Formula: C₇H₆O₄

Purity: >96.0%(GC)

Color and Shape: White to Orange to Green powder to crystal

Molecular weight: 154.12

Ref: 3B-C1734

Methyl coumalate, 98%

CAS: 6018-41-3

Methyl coumalate is a 2-pyrone and acts as dienophile in Diels-Alder reaction. It reacts with 1,3-butadienes at 100C to yield tetrahydrocoumarins and 4-methoxycarbonyltricyclo[3.2.1.02,7]octenes. It also reacts with cyclohexadiene to afford tetrahydronaphthalene-2-carboxylate. It undergoes Diels-Al

Formula: C₇H₆O₄

Purity: 98%

Color and Shape: White to cream to pale yellow, Powder

Molecular weight: 154.12

Ref: 02-B25330

Methyl coumalate

CAS: 6018-41-3

Formula: C₇H₆O₄

Purity: 98%

Color and Shape: Solid

Molecular weight: 154.1201

Ref: IN-DA00E923

Methyl 2-oxo-2H-pyran-5-carboxylate

CAS: 6018-41-3

Methyl 2-oxo-2H-pyran-5-carboxylate

Purity: 97%

Color and Shape: White-Pale Yellow Powder

Molecular weight: 154.12g/mol

Ref: 54-OR6407

2-Oxo-2H-pyran-5-carboxylic acid methyl ester

CAS: 6018-41-3

2-Oxo-2H-pyran-5-carboxylic acid methyl ester is an activated form of 2-oxopyran. It reacts with nucleophiles, such as malic acid, to form ethyl esters. This reaction is an example of the Friedel-Crafts reaction, which is a type of electrophilic aromatic substitution. The rate of this reaction depends on the activation energies and fluorescence properties of the reactants. The mechanism for this reaction is that the double bond in the carbonyl group is ruptured by attacking nucleophiles, resulting in a release of hydrogen gas and formation of carboxylic acid derivatives. The product can be isolated using a solvent extraction technique or purified using column chromatography.

Formula: C₇H₆O₄

Purity: Min. 98 Area-%

Color and Shape: Powder

Molecular weight: 154.12 g/mol

Ref: 3D-FO57256

Methyl Coumalate

Controlled Product

CAS: 6018-41-3

Formula: C₇H₆O₄

Color and Shape: Neat

Molecular weight: 154.12

Ref: TR-M294530

Methyl 2-Oxo-2H-pyran-5-carboxylate

CAS: 6018-41-3

Formula: C₇H₆O₄

Purity: 97%

Color and Shape: Solid, Crystalline Powder or Powder

Molecular weight: 154.121

Ref: 10-F067076