Ethyl coumarin-3-carbaoxylate

Modify Date: 2024-01-02 14:24:32

Ethyl coumarin-3-carbaoxylate Structure
Ethyl coumarin-3-carbaoxylate structure
Common Name Ethyl coumarin-3-carbaoxylate
CAS Number 1846-76-0 Molecular Weight 218.205
Density 1.3±0.1 g/cm3 Boiling Point 378.0±30.0 °C at 760 mmHg
Molecular Formula C12H10O4 Melting Point 92-94 °C(lit.)
MSDS N/A Flash Point 195.6±23.0 °C

 Use of Ethyl coumarin-3-carbaoxylate


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].

 Names

Name ethyl 2-oxochromene-3-carboxylate
Synonym More Synonyms

 Ethyl coumarin-3-carbaoxylate 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
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

 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

 Customs

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

 Synonyms

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