293466
Ethyl β-oxo-3-furanpropionate
98%
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About This Item
Empirical Formula (Hill Notation):
C9H10O4
CAS Number:
Molecular Weight:
182.17
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
98%
InChI
1S/C9H10O4/c1-2-13-9(11)5-8(10)7-3-4-12-6-7/h3-4,6H,2,5H2,1H3
SMILES string
CCOC(=O)CC(=O)c1ccoc1
InChI key
OVPIQFGJQAQWAJ-UHFFFAOYSA-N
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
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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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
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