7-Ethoxycumarin

7-Ethoxycoumarin

HCID 35703CAS 31005-02-4
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Grundinformationen

Standard-SMILES
CCOc1ccc2ccc(=O)oc2c1
InChIKey
LIFAQMGORKPVDH-UHFFFAOYSA-N
Summenformel
C11H10O3
Durchschnittliche Molmasse
190,19 g/mol
Monoisotopische Masse
190,06299418

Überblick

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 a member of coumarins and an aromatic ether. It is functionally related to an umbelliferone.

Namen und Bezeichner

Bevorzugter Name
7-Ethoxycoumarin
IUPAC
7-ethoxychromen-2-one
Lokaler Name
7-Ethoxycumarin
Englischer Name
7-Ethoxycoumarin
Summenformel
C11H10O3
Molmasse
190.2

Namen und Synonyme

7-ETHOXYCOUMARIN31005-02-47-ethoxychromen-2-oneEthylumbelliferone2H-1-Benzopyran-2-one, 7-ethoxy-7-ethoxy-2H-1-benzopyran-2-oneDTXSID30184983C8K66XCQ6LCHEBI:28184RefChem:546337DTXCID70107474250-429-4
Weitere Namen anzeigen
ETHOXYCOUMARINETHOXYCOUMARIN, 7-7-Ethoxycoumarin>7-Ethoxycoumarin ,99%ETHOXYCOUMARIN, 7-(RG)7-O-Ethylumbelliferone
7-ethoxy-2H-chromen-2-oneMFCD000068777-Ethoxy-1-benzopyran-2-oneCoumarin, 7-ethoxy-EINECS 250-429-4UNII-C8K66XCQ6LSCHEMBL119072CHEMBL191528

Datenbank-Bezeichner

CAS
31005-02-4
PubChem CID
35703
DTXSID
DTXSID30184983
ChEMBL
CHEMBL191528
ChEBI
CHEBI:28184
UNII
C8K66XCQ6L
EC Number
250-429-4
Nikkaji
J315H

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,3
Polarare Oberfläche (TPSA)
35,5 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
2
Schwere Atome
14

Experimentelle und physikochemische Eigenschaften

Chemical ClassesDyes -> Coumarin Dyes
LogP2.2
Physical DescriptionBeige crystalline solid; [Sigma-Aldrich MSDS]

Physikochemische Eigenschaften

Schmelzpunkt
88 · 88-90 °C (lit.)
Siedepunkt
265.69 °C · 265.69°C (rough estimate)
Dichte
1.1803 · 1.1803 (rough estimate)
Brechungsindex
1.426 · 1.4260 (estimate)
storage temp.
Sealed in dry,Room Temperature
Löslichkeit
Chloroform (Slightly), Ethanol (Slightly), Methanol (Slightly)

Sicherheit und Regulatorisches

Gefahrenhinweise

Regulatory Information2H-1-Benzopyran-2-one, 7-ethoxy-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS] See Coumarin 445. See Coumarin.

Sicherheitsdaten

F
8
wgk
3
tsca
Yes
hs_code
29329990
hazard_code
Xi
hazard_note
Irritant

Chemie und Industrie

Pharmakologische Informationen

Metabolism/Metabolites7-ethoxycoumarin has known human metabolites that include 7-Hydroxycoumarin and 2H-1-Benzopyran-2-one, 7-ethoxy-4-hydroxy-.
Anwendungen · 2 Einträge

Beschreibung7-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.

Verwenden7-Ethoxycoumarin is a substrate for CYP2B6 used in fluorometric assays of microsomal monooxygenase activity.

Vor- und nachgelagerte Produkte

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梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
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北京诺德恒信化工技术有限公司010-84929330 13811281791 · [email protected]
Ergänzende Hinweise · 1 Eintrag

DefinitionChEBI: 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.

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