1-(3-Hydroxy-2-furyl)ethanone

Systematic Name: 1-(3-Hydroxyfuran-2-yl)ethanone
Synonyms of 1-(3-Hydroxy-2-furyl)ethanone (CAS NO.3420-59-5): 3-Hydroxy-2-furyl methyl ketone ; 3-Hydroxy-2-furyl(methyl) ketone ; Isomaltol
CAS NO: 3420-59-5
Molecular Formula: C₆H₆O₃
Molecular Weight: 126.11
Molecular Structure: 
H bond acceptors: 3
H bond donors: 1
Freely Rotating Bonds: 2
Polar Surface Area: 39.44 Å²
Index of Refraction: 1.508
Molar Refractivity: 30.46 cm³
Molar Volume: 102.1 cm³
Surface Tension: 42.8 dyne/cm
Density: 1.234 g/cm³
Flash Point: 79.2 °C
Enthalpy of Vaporization: 46.16 kJ/mol
Boiling Point: 207.3 °C at 760 mmHg
Vapour Pressure: 0.158 mmHg at 25°C
Melting point: 98-103°C
Water Solubility: insoluble
Appearance: white crystal
SMILES: O=C(c1occc1O)C
InChI: InChI=1/C6H6O3/c1-4(7)6-5(8)2-3-9-6/h2-3,8H,1H3
InChIKey: HPIGCVXMBGOWTF-UHFFFAOYAW
Std. InChI: InChI=1S/C6H6O3/c1-4(7)6-5(8)2-3-9-6/h2-3,8H,1H3
Std. InChIKey: HPIGCVXMBGOWTF-UHFFFAOYSA-N