2,5-Dimethyl-3(2H)-furanone

CAS	14400-67-0
Structure
Synonyms	Mango furanone
IUPAC Name	2,5-Dimethylfuran-3-one
Molecular Weight	112.13
Molecular Formula	C6H8O2
Canonical SMILES	CC1C(=O)C=C(O1)C
InChI	InChI=1S/C6H8O2/c1-4-3-6(7)5(2)8-4/h3,5H,1-2H3
InChI Key	ASOSVCXGWPDUGN-UHFFFAOYSA-N
Boiling Point	259-261 °C
Flash Point	259-261 °C
Purity	95%
Density	1.06 g/cm³
Solubility	Soluble in ethanol
Appearance	Clear liquid
Storage	2-8 °C
Exact Mass	112.052429494
Monoisotopic Mass	112.052429494
Odor	Roasted coffee odor
Physical State	Liquid
Refractive Index	1.455
Storage Conditions	2-8 °C
Topological Polar Surface Area	26.3 Ų