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Cas Database |
| Name |
1-(3-Hydroxy-2-furyl)ethanone |
EINECS | N/A | |
| CAS No. | 3420-59-5 | Density | 1.234g/cm3 | |
| PSA | 50.44000 | LogP | 1.18780 | |
| Solubility | Insoluble in water | Melting Point |
98-103°C |
|
| Formula | C6H6O3 | Boiling Point | 207.3°Cat760mmHg | |
| Molecular Weight | 126.112 | Flash Point | 79.2°C | |
| Transport Information | N/A | Appearance | white crystal | |
| Safety | Risk Codes | N/A | ||
| Molecular Structure |
|
Hazard Symbols | N/A | |
| Synonyms |
Isomaltol(6CI);Ketone, 3-hydroxy-2-furyl methyl (7CI,8CI);2-Acetyl-3-hydroxyfuran; |
Article Data | 2 | |
1-(3-Hydroxy-2-furyl)ethanone Chemical Properties
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: .png)
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
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