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4-(5-Methylfuran-2-Yl)Butan-2-One
[CAS# 13679-56-6]

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Identification
Name 4-(5-Methylfuran-2-Yl)Butan-2-One
Synonyms 4-(5-Methyl-2-Furyl)Butan-2-One; 2-Butanone-4-(5-Methyl-2-Furanyl)-; Ec-000.1547
Molecular Structure CAS#: 13679-56-6, 4-(5-Methylfuran-2-Yl)Butan-2-One
Molecular Formula C9H12O2
Molecular Weight 152.19
CAS Registry Number 13679-56-6
SMILES C1=C(CCC(C)=O)OC(=C1)C
InChI 1S/C9H12O2/c1-7(10)3-5-9-6-4-8(2)11-9/h4,6H,3,5H2,1-2H3
InChIKey CWKYCXPGVIFXOH-UHFFFAOYSA-N
Properties
Density 1.005g/cm3 (Cal.)
Boiling point 209.602°C at 760 mmHg (Cal.)
Flash point 87.098°C (Cal.)
References
(1) Sutton et al.. The hydrodeoxygenation of bioderived furans into alkanes, Nature Chemistry, 2013
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