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4-Hydroxy-2,5-Dimethylfuran-3-One
[CAS# 131222-81-6]

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Identification
Name 4-Hydroxy-2,5-Dimethylfuran-3-One
Synonyms 4-Hydroxy-2,5-Dimethyl-Furan-3-One; 4-Hydroxy-2,5-Dimethyl-3-Furanone; 40703_Fluka
Molecular Structure CAS#: 131222-81-6, 4-Hydroxy-2,5-Dimethylfuran-3-One
Molecular Formula C6H8O3
Molecular Weight 128.13
CAS Registry Number 131222-81-6 (131222-82-7)
SMILES CC1OC(=C(O)C1=O)C
InChI 1S/C6H8O3/c1-3-5(7)6(8)4(2)9-3/h3,8H,1-2H3
InChIKey INAXVXBDKKUCGI-UHFFFAOYSA-N
Properties
Density 1.25g/cm3 (Cal.)
Melting point 81°C (Expl.)
Boiling point 215.532°C at 760 mmHg (Cal.)
Flash point 90.531°C (Cal.)
References
(1) Schiefner A., Sinz Q., Neumaier I., Schwab W., Skerra A.. Structural basis for the enzymatic formation of the key strawberry flavor compound 4-hydroxy-2,5-dimethyl-3(2H)-furanone, Journal of Biological Chemistry, 2013
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List of Reports Available for 4-Hydroxy-2,5-Dimethylfuran-3-One
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