3-Hydroxy-4-methyl-5-ethyl-2(5H)furanone CAS698-10-2

Details:

Density 1.2± 0.1g /cm3
Boiling point 316.4±42.0 °C at 760 mmHg
Melting point 31-35 °C(lit.)
Molecular formula C7H10O3
Molecular weight 142.152
Flash point 147.0±20.7 °C
Accurate mass 142.062988
PSA 46.53000
LogP 0.09
Appearance properties yellow liquid, with unripe green fruit aroma and maple sugar, milk candy flavor. Dissolve in water. Natural products are found in soy hydrolyzed protein and so on.
Vapor pressure 0.0±1.5 mmHg at 25°C
Refractive index of 1.501
Storage condition
Store sealed, at room temperature, in dry storage. Often used inert gas protection.

Stability Stable at room temperature and pressure, avoid contact with incompatible materials. It reacts with a strong oxidant.
Computational chemistry
1. Reference value for calculating hydrophobic parameters (XlogP) :0.9

2. Number of hydrogen bond donors :1

3. Number of hydrogen bond receptors :3

4. Number of rotatable bonds :1

5. Number of tautomers :2

6. Topological molecular polar surface area 46.5

7. Number of heavy atoms :10

8. Surface charge :0

9. Complexity :193

10. Number of isotope atoms :0

11. Determine the number of primary constitutive centers :0

12. Number of uncertain atomic orthotropic centers :1

13. Determine the number of chemical bond constitutive centers :0

14. Number of uncertain bond constitutive centers :0

15. Number of covalent bond units :1

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