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293466

Ethyl β-oxo-3-furanpropionate

98%

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About This Item

Empirical Formula (Hill Notation):
C9H10O4
CAS Number:
36878-91-8
Molecular Weight:
182.17
NACRES:
NA.22
PubChem Substance ID:
24857657
UNSPSC Code:
12352100
MDL number:
MFCD00011566
Assay:
98%
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assay

98%

refractive index

n20/D 1.489 (lit.)

bp

113-116 °C/4 mmHg (lit.)

density

1.153 g/mL at 25 °C (lit.)

functional group

ester, ketone

SMILES string

CCOC(=O)CC(=O)c1ccoc1

InChI

1S/C9H10O4/c1-2-13-9(11)5-8(10)7-3-4-12-6-7/h3-4,6H,2,5H2,1H3

InChI key

OVPIQFGJQAQWAJ-UHFFFAOYSA-N

Application

Ethyl β-oxo-3-furanpropionate has been used in the synthesis of deuterated 4-ipomeanol.

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
MKBD5466V
MKBD5466
20615HO
11902KU
09213JI

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Teresa M Alvarez-Diez et al.
Drug metabolism and disposition: the biological fate of chemicals, 32(12), 1345-1350 (2004-08-26)
Earlier studies postulated that bioactivation of 4-ipomeanol by cytochrome P450 enzymes may occur through oxidation of its furan ring, following a mechanism similar to the bioactivation of other furan-containing compounds. This would lead to the formation of furan epoxides and

Global Trade Item Number

SKUGTIN
293466-1G04061837714184