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ChemicalBook--->CAS DataBase List--->87-05-8

87-05-8

87-05-8 Structure

87-05-8 Structure
IdentificationMore
[Name]

7-Ethoxy-4-methyl-2H-chromen-2-one
[CAS]

87-05-8
[Synonyms]

4-METHYL-7-ETHOXYCOUMARIN
7-ETHOXY-4-METHYL-2H-CHROMEN-2-ONE
7-ETHOXY-4-METHYLCOUMARIN
ETHYL 4-METHYLUMBELLIFERYL ETHER
METHYL-7-ETHOXYCOUMARIN, 4-
TIMTEC-BB SBB010011
2H-1-Benzopyran-2-one, 7-ethoxy-4-methyl-
7-ethoxy-4-methyl-2h-1-benzopyran-2-on
Coumarin, 7-ethoxy-4-methyl-
7-ETHOXY-4-METHYLCOUMARIN, FOR FLUORESCE NCE
Maraniol
7-Ethoxy-4-methylcoumarin 98%
METHYL-7-ETHOXYCOUMARIN, 4-(SG)
7-ETHOXY-4-METHYLCOUMARIN WITH GC
4-Methyl-7-ethoxy-2H-1-benzopyran-2-one
7-Ethoxy-4-methyl-2H-1-benzopyran-2-one
Morlin
[EINECS(EC#)]

201-721-5
[Molecular Formula]

C12H12O3
[MDL Number]

MFCD00016971
[Molecular Weight]

204.22
[MOL File]

87-05-8.mol
Chemical PropertiesBack Directory
[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)
[Uses]

Perfumery, flavoring.
[CAS DataBase Reference]

87-05-8(CAS DataBase Reference)
[NIST Chemistry Reference]

4-Methyl-7-ethoxycoumarin(87-05-8)
[EPA Substance Registry System]

87-05-8(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Safety Statements ]

24/25
[WGK Germany ]

3
[F ]

8
[Hazard Note ]

Irritant
[TSCA ]

Yes
[HS Code ]

29322090
Hazard InformationBack Directory
[Chemical Properties]

White solid; walnut odor. Slightly soluble in alcohol.
[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.
Spectrum DetailBack Directory
[Spectrum Detail]

7-Ethoxy-4-methyl-2H-chromen-2-one(87-05-8)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

7-Ethoxy-4-methyl-2H-chromen-2-one, 97%(87-05-8)
[Alfa Aesar]

7-Ethoxy-4-methylcoumarin, 98%(87-05-8)
[Sigma Aldrich]

87-05-8(sigmaaldrich)
[TCI AMERICA]

7-Ethoxy-4-methylcoumarin,>90.0%(GC)(87-05-8)
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