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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/REAXYS Number:
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

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

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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