7-Ethoxy-4-methyl-2H-chromen-2-one Chemical Properties

Melting point:

114-116 °C (lit.)

Boiling point:

351.4±37.0 °C(Predicted)

Density 

1.163±0.06 g/cm3(Predicted)

storage temp. 

-20°C Freezer, Under inert atmosphere

solubility 

DMF: soluble

form 

Solid

color 

White to Off-White

Odor

at 100.00 %. nutty walnut

Odor Type

nutty

BRN 

169998

LogP

2.973 (est)

CAS DataBase Reference

87-05-8(CAS DataBase Reference)

NIST Chemistry Reference

4-Methyl-7-ethoxycoumarin(87-05-8)

EPA Substance Registry System

2H-1-Benzopyran-2-one, 7-ethoxy-4-methyl- (87-05-8)

Safety Information

Hazard Codes 

Xi

Safety Statements 

24/25

WGK Germany 

3

F 

8

Hazard Note 

Irritant

TSCA 

Yes

HS Code 

29322090

MSDS

• Language:English Provider:SigmaAldrich
• Language:English Provider:ALFA

7-Ethoxy-4-methyl-2H-chromen-2-one Usage And Synthesis

Chemical Properties

White solid; walnut odor. Slightly soluble in alcohol.

Uses

Perfumery, flavoring.

Uses

7-Ethoxy-4-methylcoumarin was an analyte in a study of the structural characterization and retention time simulation of allergenic fragrances.

Uses

7-Ethoxy-4-methylcoumarin may be used in the assay of 4-chlormethyl-7-ethoxycoumarin O-deethylase activity.

Definition

ChEBI: 7-Ethoxy-4-methyl-2H-1-benzopyran-2-one is a member of coumarins.

General Description

7-Ethoxy-4-methylcoumarin (EtOMC), also known as ethyl 4-methylumbelliferyl ether, is a coumarin derivative. Its standard molar energy of combustion is ?5888.0 ± 3.2kJ·mol?1 and standard molar enthalpy of formation in the crystalline phase is ?545.4 ± 3.6kJ·mol?1.EtOMC can be prepared by reacting methyl acetoacetate with 3-ethoxyphenol in the presence of boron trifluoride dihydrate.The fluorescence quenching of EtOMC is more effective in the presence 4-hydroxy-TEMPO (4-hydroxy-2,2,6,6-tetramethylpiperidin-1-oxyl).

Synthesis

Prod.:
1) from Diketene plus Resorcinol with sulfuric acid to produce 4-Methyl-7-hydroxy - coumarin. Ethylation produces subject material.
2) from Resorcinol plus Ethylacetoacetate, followed by Ethylation.

7-Ethoxy-4-methyl-2H-chromen-2-one(87-05-8)Related Product Information

• METSULFURON METHYL
• DIETHOXYMETHANE
• Ethoxyquin
• Ethyl acetate
• 6-Methylcoumarin
• C8E3
• Ethylbenzene
• Kresoxim-methyl
• 4-Methylcumarin
• Ethyl acrylate
• Methyl acrylate
• Tribenuron methyl
• Coumarin
• Methanol
• Methylparaben
• DICUMAROL
• Basic Violet 1
• Methyl salicylate