Ethyl coumarin-3-carbaoxylate

Names

[ Name ]:
Ethyl coumarin-3-carbaoxylate

[Synonym ]:
1,2-Benzopyran-2-one-3-carboxylic acid ethyl ester
EINECS 208-518-0
Ethyl 3-coumarincarboxylate
ethyl 2-oxo-2H-1-benzopyran-3-carboxylate
ethyl 2-oxo-2H-1-benzopyrano-3-carboxylate
3-Ethoxycarbonylcoumarin
2-oxochromene-3-carboxylic acid ethyl ester
MFCD00016964
3-carboethoxycoumarin
2H-1-Benzopyran-3-carboxylic acid, 2-oxo-, ethyl ester
Ethyl 2-oxo-2H-chromene-3-carboxylate
2-oxo-2H-1-benzopyran-3-carboxylic acid ethyl ester
Ethyl coumarin-3-carbaoxylate
Ethyl coumarin-3-carboxylate
Coumarin-3-carboxylic acid ethyl ester
3-Carbethoxycoumarin

Biological Activity

[Description]:

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].

[Related Catalog]:

Research Areas >> Others

Signaling Pathways >> Others >> Others

[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.

Chemical & Physical Properties

[ Density]:
1.3±0.1 g/cm3

[ Boiling Point ]:
378.0±30.0 °C at 760 mmHg

[ Melting Point ]:
92-94 °C(lit.)

[ Molecular Formula ]:
C₁₂H₁₀O₄

[ Molecular Weight ]:
218.205

[ Flash Point ]:
195.6±23.0 °C

[ Exact Mass ]:
218.057907

[ PSA ]:
56.51000

[ LogP ]:
1.91

[ Vapour Pressure ]:
0.0±0.9 mmHg at 25°C

[ Index of Refraction ]:
1.568

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DJ2501000

CHEMICAL NAME :: 2H-1-Benzopyran-3-carboxylic acid, 2-oxo-, ethyl ester

CAS REGISTRY NUMBER :: 1846-76-0

BEILSTEIN REFERENCE NO. :: 0200147

LAST UPDATED :: 199612

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C12-H10-O4

MOLECULAR WEIGHT :: 218.22

WISWESSER LINE NOTATION :: T66 BOVJ DVO2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 130 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: YKKZAJ Yakugaku Zasshi. Journal of Pharmacy. (Nippon Yakugakkai, 2-12-15 Shibuya, Shibuya-ku, Tokyo 150, Japan) No.1- 1881- Volume(issue)/page/year: 75,1486,1955

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 42 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#09107

Safety Information

[ Hazard Codes ]:
Xi:Irritant;

[ Safety Phrases ]:
S24/25

[ WGK Germany ]:
3

[ RTECS ]:
DJ2501000

[ HS Code ]:
2932209090

Synthetic Route

Click to get detail synthetic route

Customs

[ HS Code ]: 2932209090

[ Summary ]:
2932209090. other lactones. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%