| Identification | More | [Name]
ETHYL COUMARIN-3-CARBOXYLATE | [CAS]
1846-76-0 | [Synonyms]
AURORA KA-28
COUMARIN-3-CARBOXYLIC ACID ETHYL ESTER
ETHYL 2-OXO-2H-CHROMENE-3-CARBOXYLATE
ETHYL 3-COUMARINCARBOXYLATE
ETHYL COUMARIN-3-CARBOXYLATE
RARECHEM AB KA K001
1,2-Benzopyran-2-one-3-carboxylic acid, ethyl ester
1,2-benzopyran-2-one-3-carboxylicacid,ethylester
2H-1-Benzopyran-3-carboxylic acid, 2-oxo-, ethyl ester
2-oxo-2h-1-benzopyran-3-carboxylicaciethylester
3-Carbethoxycoumarin
3-Ethoxycarbonylcoumarin
2-Oxo-2H-chromene-3-carboxylic acid ethyl ester
Ethyl coumarin-3-carboxylate 98%
2-Oxo-2H-1-benzopyran-3-carboxylic acid ethyl ester
2-Oxo-α-chromene-3-carboxylic acid ethyl ester | [EINECS(EC#)]
208-518-0 | [Molecular Formula]
C12H10O4 | [MDL Number]
MFCD00016964 | [Molecular Weight]
218.21 | [MOL File]
1846-76-0.mol |
| Chemical Properties | Back Directory | [Appearance]
slightly yellow crystalline powder | [Melting point ]
92-94 °C (lit.) | [Boiling point ]
278.88°C (rough estimate) | [density ]
1.1096 (rough estimate) | [refractive index ]
1.4270 (estimate) | [storage temp. ]
Store at -20°C | [solubility ]
Soluble in DMSO | [form ]
powder to crystal | [color ]
White to Almost white | [λmax]
334nm(CH2Cl2)(lit.) | [BRN ]
200147 | [InChI]
1S/C12H10O4/c1-2-15-11(13)9-7-8-5-3-4-6-10(8)16-12(9)14/h3-7H,2H2,1H3 | [InChIKey]
XKHPEMKBJGUYCM-UHFFFAOYSA-N | [SMILES]
CCOC(=O)C1=Cc2ccccc2OC1=O | [CAS DataBase Reference]
1846-76-0(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Safety Statements ]
S24/25:Avoid contact with skin and eyes . | [WGK Germany ]
3
| [RTECS ]
DJ2501000
| [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
29322090 | [Storage Class]
11 - Combustible Solids |
| Hazard Information | Back Directory | [Chemical Properties]
slightly yellow crystalline powder | [Uses]
Ethyl 3-coumarincarboxylate is a coumarin derivative. Ethyl 3-coumarincarboxylate can be used as a pseudo-template to give a molecularly imprinted polymer (MIP) that has a fairly specific recognition capability for aflatoxins[1]. | [Synthesis Reference(s)]
Organic Syntheses, Coll. Vol. 3, p. 165, 1955
The Journal of Organic Chemistry, 49, p. 5195, 1984 DOI: 10.1021/jo00200a036 | [References]
[1] Wu C, et al. Solid-phase extraction of aflatoxins using a nanosorbent consisting of a magnetized nanoporous carbon core coated with a molecularly imprinted polymer. Mikrochim Acta. 2018 Oct 25;185(11):515. DOI:10.1007/s00604-018-3051-8 |
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