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| | 7-Ethoxy-4-methyl-2H-chromen-2-one Basic information |
| Product Name: | 7-Ethoxy-4-methyl-2H-chromen-2-one | | Synonyms: | ETHYL 4-METHYLUMBELLIFERYL ETHER;TIMTEC-BB SBB010011;7-ETHOXY-4-METHYLCOUMARIN, FOR FLUORESCE NCE;Maraniol;7-Ethoxy-4-methylcoumarin 98%;METHYL-7-ETHOXYCOUMARIN, 4-(SG);4-Methyl-7-ethoxy-2H-1-benzopyran-2-one;7-Ethoxy-4-methyl-2H-1-benzopyran-2-one | | CAS: | 87-05-8 | | MF: | C12H12O3 | | MW: | 204.22 | | EINECS: | 201-721-5 | | Product Categories: | Coumarins;API intermediates | | Mol File: | 87-05-8.mol |  |
| | 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 | | InChI | InChI=1S/C12H12O3/c1-3-14-9-4-5-10-8(2)6-12(13)15-11(10)7-9/h4-7H,3H2,1-2H3 | | InChIKey | NKRISXMDKXBVRJ-UHFFFAOYSA-N | | SMILES | C1(=O)OC2=CC(OCC)=CC=C2C(C)=C1 | | 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) |
| Hazard Codes | Xi | | Safety Statements | 24/25 | | WGK Germany | 3 | | F | 8 | | Hazard Note | Irritant | | TSCA | TSCA listed | | HS Code | 29322090 |
| | 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·mol1 and standard molar enthalpy of formation in the crystalline phase is 545.4 ± 3.6kJ·mol1.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 Preparation Products And Raw materials |
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