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ChemicalBook--->CAS DataBase List--->31005-02-4

31005-02-4

31005-02-4 Structure

31005-02-4 Structure
IdentificationMore
[Name]

7-ETHOXYCOUMARIN
[CAS]

31005-02-4
[Synonyms]

7-ETHOXY-1-BENZOPYRAN-2-ONE
7-ETHOXY-1-BENZOPYRANE-2-ONE
7-ETHOXYCOUMARIN
ETHOXYCOUMARIN, 7-
2H-1-Benzopyran-2-one, 7-ethoxy-
Coumarin, 7-ethoxy-
Ethylumbelliferone
7-ETHOXYCOUMARIN, 99.5%
7-ETHOXYCOUMARIN, FOR FLUORESCENCE
7-ETHOXYCOUMARIN CRYSTALLINE
7-Ethoxycoumarin, 99.50%
ETHOXYCOUMARIN, 7-(RG)
ETHOXYCOUMARIN
7-Ethoxycoumarin ,99%
7-Ethoxy-2H-1-benzopyran-2-one
7-O-Ethylumbelliferone
[EINECS(EC#)]

250-429-4
[Molecular Formula]

C11H10O3
[MDL Number]

MFCD00006877
[Molecular Weight]

190.2
[MOL File]

31005-02-4.mol
Chemical PropertiesBack Directory
[Appearance]

BEIGE CRYSTALLINE POWDER
[Melting point ]

88-90 °C (lit.)
[Boiling point ]

265.69°C (rough estimate)
[density ]

1.1803 (rough estimate)
[refractive index ]

1.4260 (estimate)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Chloroform (Slightly), Ethanol (Slightly), Methanol (Slightly)
[form ]

Solid
[color ]

Off-White to Pale Brown
[Water Solubility ]

Soluble in hot methanol (very faint turbidity), 95% ethanol (50 mg/ml), DMF, and DMSO. Insoluble in water.
[Usage]

A substrate for CYP2B6
[Detection Methods]

HPLC,NMR
[BRN ]

146200
[LogP]

2.310 (est)
[CAS DataBase Reference]

31005-02-4(CAS DataBase Reference)
[Storage Precautions]

Light sensitive
Safety DataBack Directory
[Hazard Codes ]

Xi
[Safety Statements ]

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

3
[F ]

8
[Hazard Note ]

Irritant
[TSCA ]

Yes
[HS Code ]

29329990
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Potassium carbonate-->Acetone-->Bromoethane-->7-Hydroxycoumarin-->2H-1-Benzopyran-2-thione, 7-ethoxy--->Diethyl acetylenedicarboxylate-->2-Oxo-(2H)-furo(2,3-h)-1-benzopyran-->Carbon tetrachloride-->Bromoacetaldehyde diethyl acetal-->Iodoethane
Hazard InformationBack Directory
[Description]

7-Ethoxycoumarin is oneof the general substrates for liver cytochrome P450 enzymes, and it is known that CYP1A1,1A2, and 2B1, drug inducedtypes (b-naphthoflavone, isosafrole, and phenobarbital,re-spectively, in rat liver) are mainly responsible for the ECDE activity in the liver.
[Chemical Properties]

BEIGE CRYSTALLINE POWDER
[Uses]

7-Ethoxycoumarin is a substrate for CYP2B6 used in fluorometric assays of microsomal monooxygenase activity.
[Uses]

7-Ethoxycoumarin is commonly used for metabolism studies, including hepatocyte studies, liver perfusion techniques and cytochrome P450 studies.
7-Ethoxycoumarin has been used to study the functional activity of recombinant P450. ) It has also been used as an internal standard for in vitro S-warfarin 7-hydroxylation and high performance liquid chromatography (HPLC) analysis.
[Definition]

ChEBI: 7-ethoxycoumarin is a member of the class of coumarins that is umbelliferone in which the hydroxy group at position 7 is replaced by an ethoxy group. It is an aromatic ether and a member of coumarins. It derives from an umbelliferone.
[Biochem/physiol Actions]

7-Ethoxycoumarin is a cytochrome P450 substrate.
[Metabolism]

7-Ethoxycoumarin is metabolized by many cytochrome P450 enzymes active in foreign compound metabolism and has been used as a prototypic substrate to monitor P450 (P450) activity in both hepatic and extrahepatic tissues.
The in vitro perfusion of the human placental lobule with 7-ethoxycoumarin gives 7-hydroxycoumarin, and perfusion with androstenedione gives the conversion products, estrone, estradiol, and testosterone. The human placenta has only a limited capacity for the metabolism of xenobiotics.
Use of 7-Ethoxycoumarin to Monitor Multiple Enzymes in the Human CYP1, CYP2, and CYP3 Families
Spectrum DetailBack Directory
[Spectrum Detail]

7-Ethoxycoumarin(31005-02-4)MS
7-Ethoxycoumarin(31005-02-4)1HNMR
7-Ethoxycoumarin(31005-02-4)13CNMR
7-Ethoxycoumarin(31005-02-4)IR1
7-Ethoxycoumarin(31005-02-4)IR2
7-Ethoxycoumarin(31005-02-4)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

7-Ethoxycoumarin, 99.50%(31005-02-4)
[Alfa Aesar]

7-Ethoxycoumarin, 99%(31005-02-4)
[Sigma Aldrich]

31005-02-4(sigmaaldrich)
[TCI AMERICA]

7-Ethoxycoumarin,>97.0%(GC)(31005-02-4)
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