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E1379

Sigma-Aldrich

7-Ethoxycoumarin

Synonym(s):

7-Ethoxy-1-benzopyran-2-one

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About This Item

Empirical Formula (Hill Notation):
C11H10O3
CAS Number:
31005-02-4
Molecular Weight:
190.20
Beilstein:
146200
EC Number:
250-429-4
MDL number:
MFCD00006877
UNSPSC Code:
12161501
PubChem Substance ID:
24894404
NACRES:
NA.77

Assay

≥99.45% (HPLC)

form

powder

mp

88-90 °C (lit.)

solubility

95% ethanol: 50 mg/mL, clear to slightly hazy, colorless to faintly yellow

fluorescence

λex 323 nm; λem 386 nm

SMILES string

CCOc1ccc2C=CC(=O)Oc2c1

InChI

1S/C11H10O3/c1-2-13-9-5-3-8-4-6-11(12)14-10(8)7-9/h3-7H,2H2,1H3

InChI key

LIFAQMGORKPVDH-UHFFFAOYSA-N

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Application

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.

Biochem/physiol Actions

7-Ethoxycoumarin is a cytochrome P450 substrate.
Substrate for CYP2B6

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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